data_2ke5_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 2ke5 _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 ' 12' ' ' LEU . . . . . 0.621 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 8.4 mp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.92 110.08 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 63' ' ' GLN . 62.1 tp -84.54 101.3 11.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.28 129.56 52.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -102.78 121.97 43.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.219 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.49 129.2 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -105.9 122.26 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.469 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -78.6 78.15 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.786 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -84.12 157.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 20' ' ' VAL . . . 179.43 -164.6 32.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.498 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -59.1 -56.26 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.69 -24.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.998 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.61 64.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.146 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' A' ' 93' ' ' PHE . 47.0 t -109.23 -72.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 0.0 111.288 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.2 39.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.104 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.99 -37.03 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.289 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.2 p -60.14 -29.56 68.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.01 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.7 -52.83 63.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.917 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 165' ' ' VAL . 0.9 OUTLIER -63.34 -25.57 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.2 m -65.83 -43.02 89.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.422 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.16 -46.77 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.6 mm100 -55.66 -36.06 66.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 111.517 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.72 -27.08 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.77 0.319 . . . . 0.0 111.373 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.75 -49.75 9.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -117.23 -5.65 11.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-20 58.66 31.82 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -139.73 133.04 29.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.911 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -84.28 107.74 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.87 144.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.962 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -98.84 126.39 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -144.41 -31.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.7 t80 62.76 107.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.258 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -109.25 118.75 50.3 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.88 132.82 54.35 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.288 1.992 . . . . 0.0 111.885 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.4 m -118.84 141.3 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.351 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -157.57 -37.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.51 -17.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.4 127.27 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 p -117.36 170.57 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -109.49 126.06 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.81 140.23 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.982 0.42 . . . . 0.0 111.368 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -159.65 169.68 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.47 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -114.73 133.43 55.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 111.521 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -143.09 138.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -78.57 146.57 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.348 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' HE1' ' A' ' 173' ' ' MET . 24.3 mt -136.61 102.23 4.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 52.03 30.82 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.37 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 24.03 12.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.9 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -144.01 113.14 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -81.2 112.81 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 m -123.18 153.13 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.499 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 37.2 mt-30 -83.21 148.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 tt -134.81 116.2 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 111.142 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.11 114.19 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG22 HG23 ' A' ' 31' ' ' THR . 49.1 mt -101.4 138.35 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -140.85 101.21 4.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.82 146.45 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -124.04 123.27 39.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.297 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.97 -163.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.936 179.579 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.988 0.423 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -67.29 -37.17 82.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.86 -31.27 62.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.25 -43.89 75.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.8 -30.54 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.599 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -84.38 -32.29 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -80.79 -8.78 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.6 p -94.59 2.8 55.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.9 160.04 23.94 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -92.57 -52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.54 161.31 26.07 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.643 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -134.64 140.34 45.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.303 . . . . 0.0 110.755 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.93 103.71 7.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.548 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -83.29 96.82 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.578 HG23 HG12 ' A' ' 126' ' ' VAL . 13.0 p -107.8 131.76 57.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.62 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -136.33 -173.6 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.4 t -121.43 144.92 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.373 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.418 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.5 pt -78.46 -33.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.949 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -68.9 -19.69 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.72 97.81 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -63.11 -16.32 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.39 -26.6 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -67.76 -53.99 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.293 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.42 -35.93 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.763 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -72.21 -54.08 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.093 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.9 84.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.62 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.5 p -58.66 -31.73 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.18 79.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.49 -47.06 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.67 -29.69 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.104 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -51.06 -45.37 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.91 -30.16 66.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.45 ' HA ' ' HD2' ' A' ' 113' ' ' ARG . 76.3 mt-30 -68.61 -25.12 64.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.365 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.28 -44.95 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.3 -27.04 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.804 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 110' ' ' GLN . 99.6 mtt180 -61.44 -48.64 80.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 115' ' ' LYS . 5.3 m -72.54 -12.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.7 mmtt -125.98 42.77 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -27.3 68.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.368 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.54 -31.45 47.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.95 163.67 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.08 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.26 107.63 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.18 104.96 46.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.27 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.3 Cg_endo -67.43 132.46 27.42 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.455 2.103 . . . . 0.0 111.907 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -148.94 155.65 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.8 tp -153.75 127.65 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.489 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.9 p -103.76 142.55 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.017 0.437 . . . . 0.0 111.396 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.578 HG12 HG23 ' A' ' 92' ' ' VAL . 13.8 p -151.74 152.97 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.825 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 126' ' ' VAL . . . -127.8 119.74 3.26 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.97 -162.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 58.46 12.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.635 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -61.25 -12.16 12.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.38 -4.38 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.96 78.33 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.406 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 38.7 mt-10 -72.54 -15.9 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.2 -14.67 26.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.355 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -113.94 17.01 18.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.3 ttm105 -82.4 113.3 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -88.69 -31.01 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.802 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.4 t -98.79 109.41 53.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.179 1.92 . . . . 0.0 111.483 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -54.46 -44.99 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.395 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.4 -43.09 99.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.99 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.0 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.509 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.8 mtt180 -71.4 -40.89 70.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.08 -52.92 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.669 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -47.26 87.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.377 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.438 ' HB2' HG13 ' A' ' 125' ' ' VAL . . . -66.42 -32.75 74.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.766 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.4 -32.38 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.712 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.17 -39.33 63.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.687 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.79 30.66 3.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.738 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.03 170.8 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 111.572 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -112.55 131.07 55.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.996 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.489 ' HD1' HG21 ' A' ' 125' ' ' VAL . 41.6 t80 -95.54 143.16 27.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.196 0.522 . . . . 0.0 111.88 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.23 153.66 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -93.39 145.08 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.4 p -148.36 159.54 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.45 . . . . 0.0 111.764 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.4 m -130.76 108.67 10.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.424 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.08 -3.73 8.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.37 -32.32 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.531 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 -18.23 21.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 50.64 29.4 4.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.54 4.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.09 19.2 18.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 33' ' ' GLN . 5.7 p -66.95 -41.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.41 -15.03 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -60.04 -42.33 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.877 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 165' ' ' VAL . 29.8 m -71.28 -26.73 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 111.658 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 173' ' ' MET . 69.2 m-85 -74.8 -48.07 27.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.402 ' HA ' ' HE2' ' A' ' 173' ' ' MET . 43.8 m-85 -71.53 -47.62 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.625 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.54 -38.62 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.454 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.7 -52.46 65.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.269 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.435 ' HE1' HD13 ' A' ' 57' ' ' LEU . 67.1 mtm -55.78 -46.13 78.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -57.62 -35.81 70.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.903 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -31.03 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.3 mt -72.71 -54.52 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 181' ' ' MET . 50.5 mtm180 -54.82 -33.04 61.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.1 m -87.3 -59.57 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -70.83 -54.39 11.75 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -57.84 -47.94 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -71.78 -12.46 61.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.401 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 0.0 110.803 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.608 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 8.8 mp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 159.48 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.56 108.74 8.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -111.09 150.39 29.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.2 mttm -125.43 112.6 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.106 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.74 131.55 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.46 113.7 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 84.6 mmm -67.95 98.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.756 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -110.93 157.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.472 ' HA2' HG21 ' A' ' 104' ' ' THR . . . 167.14 92.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.003 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.479 ' N ' HG21 ' A' ' 104' ' ' THR . 28.8 t 61.6 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.57 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.37 66.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.012 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.99 27.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.1 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.53 -30.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.09 0.48 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.254 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.42 -27.43 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 110.759 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 31' ' ' THR . 78.9 p -74.09 -29.5 61.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.628 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.09 -52.56 64.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.879 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 1.4 mm? -59.56 -24.83 64.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.5 m -72.59 -43.54 63.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.546 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.63 -33.67 71.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.364 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.511 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.3 mm100 -72.65 -36.17 67.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.969 0.414 . . . . 0.0 111.098 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -73.28 -46.55 49.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.508 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtp -82.51 -50.0 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.49 -24.64 16.56 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.2 m-20 59.4 41.33 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.537 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -141.23 133.55 28.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.783 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -98.9 112.86 24.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.581 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.0 t -133.5 148.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -30.7 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.581 ' H ' HG12 ' A' ' 40' ' ' VAL . 19.0 t70 -64.56 155.81 31.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -133.95 155.25 50.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -120.04 99.19 48.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.91 156.67 14.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.516 2.144 . . . . 0.0 112.296 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 48' ' ' ALA . 30.4 m -71.54 116.76 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -94.17 28.48 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.553 ' H ' HG23 ' A' ' 46' ' ' THR . . . 61.99 20.2 11.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.228 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.28 135.61 54.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 t -92.02 176.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -119.34 152.54 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -143.96 131.92 21.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -150.02 150.22 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -98.66 118.16 34.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.2 m -136.4 139.32 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.747 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.3 p -77.61 138.28 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.583 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.425 HD22 HH11 ' A' ' 177' ' ' ARG . 54.6 tp -135.51 112.1 10.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 57.2 30.85 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.12 -33.38 5.82 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.828 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 119.71 35.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.762 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.1 tt0 -79.4 137.11 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.15 150.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.875 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.28 130.71 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 HD13 ' HE2' ' A' ' 173' ' ' MET . 14.5 tt -108.42 138.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.2 t70 -117.45 113.37 21.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.57 134.75 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -141.8 107.52 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.64 145.91 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.003 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.9 p -129.37 116.82 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 172.11 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.989 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.809 0.337 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -51.89 -41.31 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -54.66 -32.33 59.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.36 -47.91 83.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.42 -28.53 70.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -84.99 -16.75 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.382 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -81.48 -21.7 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.3 t -95.89 1.56 53.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.09 120.31 4.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.569 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.96 -49.56 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.714 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.48 ' HA3' HD12 ' A' ' 176' ' ' ILE . . . -104.28 164.26 14.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.269 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -135.44 146.67 48.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.62 102.87 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.66 HD23 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.807 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 HG13 ' A' ' 126' ' ' VAL . 40.5 t -139.57 122.49 17.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.539 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 104' ' ' THR . 15.4 p90 -128.41 144.81 51.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.836 0.351 . . . . 0.0 110.502 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -87.95 147.59 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.7 pt -78.36 -35.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.5 p -68.0 -19.63 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.74 99.47 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.02 -16.93 61.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.01 -26.54 62.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 m -67.9 -54.4 19.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.436 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' HA ' ' HG1' ' A' ' 104' ' ' THR . 18.2 t80 -58.12 -35.41 71.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.699 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.0 p -71.98 -53.83 11.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.671 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.02 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.66 ' HB ' HD23 ' A' ' 91' ' ' LEU . 12.4 p -58.49 -36.08 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.581 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.54 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 42.3 mt-10 -66.26 -48.95 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -57.26 -25.74 59.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.02 -50.3 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.94 -36.35 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 9.8 mm-40 -61.33 -28.65 69.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.01 -37.01 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -67.85 -26.19 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.626 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -50.44 -44.34 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.732 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.52 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -79.5 -49.2 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -87.3 32.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.37 -22.07 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -89.34 -19.6 25.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -81.47 147.88 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.7 -69.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -87.01 118.41 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 29.9 mm -103.11 104.99 43.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.305 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 24.2 Cg_endo -61.7 116.72 3.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.385 2.056 . . . . 0.0 111.769 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 46.5 tp -145.05 158.33 43.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.949 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.422 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 25.4 tp -159.46 128.51 5.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.392 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 154' ' ' TYR . 3.6 p -104.67 143.86 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.381 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 92' ' ' VAL . 5.1 p -146.4 158.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -122.69 108.87 1.3 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -81.14 -170.53 2.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt 57.76 16.31 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 t -64.23 -15.06 59.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.24 -17.6 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.512 HD12 ' HD2' ' A' ' 135' ' ' ARG . 42.2 mt -105.92 84.07 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.635 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.457 ' HG2' HH22 ' A' ' 136' ' ' ARG . 40.9 mt-10 -72.58 -13.63 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.083 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.87 -28.7 16.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.303 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HD2' HD12 ' A' ' 132' ' ' LEU . 99.8 mtt180 -98.06 17.86 17.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.23 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.457 HH22 ' HG2' ' A' ' 133' ' ' GLU . 45.4 ttm105 -82.87 116.53 22.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.574 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -99.43 -24.03 14.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.37 102.16 20.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.381 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.9 132.44 44.99 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.055 1.837 . . . . 0.0 111.254 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.36 -43.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.721 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.46 -49.72 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.566 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.235 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.457 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.4 mtt180 -73.0 -37.91 66.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -64.79 -46.64 81.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.525 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.377 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 125' ' ' VAL . . . -69.19 -36.04 76.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.751 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.48 -32.53 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -51.76 -45.35 63.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -62.65 -25.5 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.52 18.18 10.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.254 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.74 -176.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.471 . . . . 0.0 111.287 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -124.47 132.53 53.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.473 ' HA ' HG12 ' A' ' 125' ' ' VAL . 48.2 t80 -101.14 141.83 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.11 0.481 . . . . 0.0 111.489 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.52 153.77 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.287 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.59 138.31 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -148.55 152.75 37.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.0 p -117.7 109.73 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.22 -8.53 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -79.19 -53.68 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.1 p -86.73 3.24 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.269 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.511 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.06 40.61 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.62 0.575 . . . . 0.0 111.9 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.43 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.174 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.402 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.5 m-20 -111.87 15.0 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.9 p -67.09 -34.09 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.717 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.27 -15.53 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.75 -39.95 95.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.193 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 111.695 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -74.74 -45.41 44.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.95 -39.62 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.2 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.458 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 14.4 t70 -59.53 -51.93 67.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.476 HD21 ' O ' ' A' ' 172' ' ' LEU . 1.4 tm? -56.77 -43.98 81.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.448 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 41.0 ttm -55.53 -41.38 73.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 92.4 mtm180 -69.8 -45.65 67.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.623 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -54.73 -48.99 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.4 mt -57.93 -32.17 42.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.51 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 173' ' ' MET . 82.7 mtp180 -74.12 -55.48 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.8 m -87.81 -58.79 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -59.19 -54.43 47.0 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 63.4 tttm -62.64 -55.85 23.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.6 mmt -60.22 -12.84 9.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.548 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.616 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.809 0.338 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 153.75 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -122.16 111.58 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.375 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -105.04 118.41 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.226 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.46 146.46 26.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 HD22 ' A' ' 172' ' ' LEU . 2.0 t -132.22 123.44 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.487 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.3 mm -107.08 107.78 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.17 105.02 2.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 91' ' ' LEU . 14.9 p -117.98 156.98 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.795 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.51 ' HA2' HD21 ' A' ' 91' ' ' LEU . . . 165.57 88.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.476 ' N ' HG21 ' A' ' 104' ' ' THR . 30.1 t 62.11 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.58 45.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.294 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.45 34.88 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.01 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.39 -69.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.95 38.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.252 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -55.99 -55.81 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 111.086 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -56.27 -31.31 63.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.85 -53.04 45.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.86 -24.84 67.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.9 m -67.18 -47.53 70.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.191 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.38 -29.56 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.6 mm100 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -72.77 -29.59 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.6 -49.79 9.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -107.9 -21.01 13.0 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.1 m-20 62.5 30.74 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.624 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -137.77 128.04 26.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.717 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -77.87 108.96 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG11 ' H ' ' A' ' 42' ' ' ASP . 21.3 t -109.82 151.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -86.38 12.52 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' H ' HG11 ' A' ' 40' ' ' VAL . 9.1 m-20 -120.98 120.62 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -103.08 -176.92 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.98 128.39 11.07 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 156.02 64.07 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.433 2.089 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -89.85 127.85 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -134.55 -62.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -172.41 1.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.95 133.67 39.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -117.83 174.23 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 36.8 m-85 -118.1 144.01 45.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.696 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.02 132.44 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -158.7 144.59 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -96.1 132.62 41.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.493 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.24 157.62 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.923 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.61 116.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 tp -120.69 112.91 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.554 ' HB2' HH12 ' A' ' 177' ' ' ARG . 11.4 m-20 56.36 31.26 18.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 20.38 64.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.869 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.53 114.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.68 112.78 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.507 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.39 144.04 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.1 143.51 32.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.323 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.9 tt -115.82 131.08 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.611 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 19.8 t70 -115.82 116.18 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 84.2 mt -112.21 145.81 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.99 105.42 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -69.23 142.02 54.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.7 p -127.93 131.83 49.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.13 -160.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -46.52 -35.36 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -55.06 -41.47 71.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.366 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -54.79 -34.51 62.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -77.24 -22.16 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.698 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -84.52 -20.62 31.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -84.39 -15.45 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -89.64 13.81 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.14 171.45 24.18 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.685 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.92 -33.89 5.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.16 160.87 13.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.164 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.33 132.09 33.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.536 HD11 HG22 ' A' ' 168' ' ' VAL . 0.6 OUTLIER -119.33 99.18 6.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.57 128.11 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.644 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' A' ' 126' ' ' VAL . 54.0 t -141.88 128.09 19.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.557 ' HB3' HG22 ' A' ' 104' ' ' THR . 20.8 p90 -125.11 149.98 47.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.269 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.2 t -88.11 141.11 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.2 pt -75.41 -31.84 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 66.0 p -72.49 -12.32 61.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.853 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -126.09 100.18 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -63.06 -16.08 58.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.92 -26.69 61.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' THR . 90.2 p -69.07 -53.83 18.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.282 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.05 -35.92 62.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.449 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.56 -53.98 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.17 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.62 89.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.619 ' HB ' HD11 ' A' ' 91' ' ' LEU . 15.4 p -55.2 -44.72 75.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -45.88 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.0 -25.87 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.177 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.446 ' NE ' ' NE1' ' A' ' 150' ' ' TRP . 8.9 ttm180 -52.0 -46.52 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.93 -39.18 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.46 -26.99 67.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -40.64 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.142 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD21 HG13 ' A' ' 121' ' ' ILE . 41.1 mt -67.8 -26.23 65.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.632 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -50.61 -50.72 53.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.755 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -69.28 -35.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.86 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.615 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -106.04 37.85 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.114 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.16 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.309 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.66 -15.91 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.65 134.37 41.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.44 -50.9 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -87.11 122.64 31.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.466 HG13 HD21 ' A' ' 112' ' ' LEU . 38.0 mm -123.05 109.78 31.55 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.35 130.33 26.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.506 2.138 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -144.42 158.05 43.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.372 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.5 tp -166.13 124.7 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 154' ' ' TYR . 4.1 p -102.39 143.33 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.396 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.439 ' HB ' HG21 ' A' ' 92' ' ' VAL . 3.5 t -141.04 151.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.84 110.5 2.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.244 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.05 -179.32 7.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.797 0.332 . . . . 0.0 110.203 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 54.47 19.78 2.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.127 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.413 ' HG ' ' NH2' ' A' ' 136' ' ' ARG . 46.8 t -62.85 -10.51 13.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.61 -2.7 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 135' ' ' ARG . 51.9 mt -118.94 79.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.57 -26.57 67.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -83.79 -8.16 59.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.168 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.531 ' HD2' HD12 ' A' ' 132' ' ' LEU . 98.8 mtt180 -119.85 17.51 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.234 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.413 ' NH2' ' HG ' ' A' ' 130' ' ' SER . 43.9 ttm180 -84.72 109.01 17.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.3 -32.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.9 t -92.49 101.86 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.75 132.98 55.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.154 1.903 . . . . 0.0 111.233 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -54.73 -45.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.765 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.8 pt-20 -55.17 -34.65 64.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.39 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.3 tt0 -75.66 -43.88 45.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.83 -28.54 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.287 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtt180 -74.69 -42.13 58.97 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.02 -36.46 81.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -43.84 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.52 95.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.872 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.02 -32.17 20.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.361 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.55 -47.55 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.859 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.446 ' NE1' ' NE ' ' A' ' 108' ' ' ARG . 8.2 m0 -65.81 -13.37 59.37 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 110.728 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.89 26.43 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.634 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.23 -177.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 111.399 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.59 131.32 48.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.498 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.469 ' HA ' HG12 ' A' ' 125' ' ' VAL . 34.9 t80 -94.42 134.71 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.102 0.477 . . . . 0.0 111.281 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 10.1 p -130.53 152.23 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.432 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -90.66 136.4 33.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 164' ' ' ASN . 82.5 p -147.38 153.17 39.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 0.0 111.716 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.6 m -126.58 109.03 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.91 -8.65 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -88.82 -40.24 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.7 p -96.34 -4.18 42.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? 34.51 41.69 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.997 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.89 -56.21 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.834 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.41 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.43 10.37 19.78 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.4 p -57.27 -43.25 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.76 -27.04 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.451 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -57.03 -31.42 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.176 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 90' ' ' LEU . 4.9 m -81.34 -27.28 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -71.61 -48.1 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.604 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . 0.47 ' HA ' ' HE2' ' A' ' 173' ' ' MET . 29.1 m-85 -66.17 -30.3 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.93 -45.31 74.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.484 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.49 HD22 HG12 ' A' ' 17' ' ' VAL . 49.1 tp -57.21 -49.93 74.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.65 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 61.3 mtm -54.23 -49.74 68.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.742 0.306 . . . . 0.0 111.308 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.82 -34.71 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.776 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.21 -30.33 69.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.05 -54.93 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH12 ' HB2' ' A' ' 58' ' ' ASP . 61.7 mtp180 -55.62 -31.85 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.487 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.9 m -86.73 -58.69 2.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 55.6 tttp -70.44 -54.41 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.91 -55.55 33.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.0 mmt -63.08 -12.83 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.785 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.604 0.24 . . . . 0.0 111.397 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.15 143.43 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -115.4 118.99 34.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -103.88 153.06 21.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.14 146.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.03 128.47 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.586 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 HD12 ' HA3' ' A' ' 86' ' ' GLY . 21.8 mm -113.12 117.07 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.569 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.0 101.15 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.241 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -85.91 170.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 171.7 158.89 16.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.417 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.483 ' HB3' ' HA ' ' A' ' 100' ' ' SER . 77.7 p -50.22 -34.12 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.112 0.482 . . . . 0.0 110.74 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.93 -5.06 1.69 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.007 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.68 70.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.157 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.21 -66.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.319 . . . . 0.0 111.405 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.57 26.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.282 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.569 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.1 pttm -54.43 -52.72 60.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.337 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' ' HB ' ' A' ' 31' ' ' THR . 90.8 p -61.1 -30.34 70.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.46 -53.58 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.422 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -59.36 -24.96 63.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.487 HG23 HG22 ' A' ' 66' ' ' ILE . 31.8 m -63.95 -54.09 40.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.16 -30.01 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.106 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.4 mm100 -61.86 -37.46 84.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.93 -25.71 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.368 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.4 tpp -81.87 -49.72 10.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -104.89 -6.13 20.47 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 55.31 32.22 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -150.28 158.34 44.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.583 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 51.0 t80 -85.65 108.33 17.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 42' ' ' ASP . 60.7 t -114.87 130.59 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.2 -22.87 30.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' H ' HG13 ' A' ' 40' ' ' VAL . 6.6 m-20 -77.09 160.71 28.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.68 -177.82 4.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.22 148.05 43.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.45 148.37 63.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.42 2.08 . . . . 0.0 112.243 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -116.97 129.46 56.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.69 -39.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.45 4.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -77.48 129.74 36.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p -123.31 155.99 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.95 150.3 21.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -146.15 137.81 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -168.95 138.41 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.26 124.56 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.379 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.3 144.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -87.21 141.22 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -141.58 110.28 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 56.09 31.33 17.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.08 -35.15 4.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -89.96 113.93 25.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.5 tt0 -83.11 113.73 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -121.51 146.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.76 137.51 36.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.7 tt -110.95 143.38 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -132.02 113.2 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.296 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 31' ' ' THR . 83.1 mt -104.6 141.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.498 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -134.2 109.87 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.22 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -94.44 136.37 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -104.16 -173.39 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.77 176.86 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -65.16 -46.47 80.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.41 -31.06 54.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -52.76 -51.33 61.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.454 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -62.78 -47.89 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.217 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -62.35 -18.37 61.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -81.6 -45.98 15.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.259 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.5 t -77.49 11.32 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -121.95 167.94 14.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.786 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.85 -63.4 1.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.337 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.95 148.53 19.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.234 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.7 143.25 49.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.3 mt -130.01 111.45 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD12 ' HB ' ' A' ' 104' ' ' THR . 7.8 tp -82.27 138.75 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.95 125.22 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.478 ' HB3' HG23 ' A' ' 104' ' ' THR . 19.9 p90 -148.16 141.47 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.588 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.4 m -83.85 150.14 25.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.965 0.412 . . . . 0.0 111.101 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 136' ' ' ARG . 40.9 pt -76.84 -33.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 97' ' ' GLU . 9.0 t -76.66 -19.91 57.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.407 ' HG2' HG21 ' A' ' 96' ' ' THR . 19.9 mm-40 -105.61 97.01 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.659 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.44 -20.29 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.14 -27.02 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.483 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 32.4 m -69.16 -53.85 17.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.301 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.28 -41.91 76.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.87 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -70.65 -53.41 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.181 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.63 94.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.323 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.555 ' HB ' HD12 ' A' ' 91' ' ' LEU . 20.4 p -57.4 -32.26 66.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.44 -31.71 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.678 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.29 -43.78 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -55.65 -25.0 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.93 -52.02 59.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.74 -37.36 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.17 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.431 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 12.4 mm-40 -56.5 -35.7 68.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.76 -40.32 86.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.3 -26.04 66.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.73 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 32.4 mmt180 -51.45 -50.86 58.94 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.476 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -68.52 -35.09 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 111.122 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.476 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.9 mmtt -97.24 60.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.695 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.65 -15.54 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.98 -23.96 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 8.9 tp10 -85.25 155.0 21.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.741 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -106.84 -67.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' HE2' ' HE3' ' A' ' 179' ' ' LYS . 12.4 tptm -76.82 108.78 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.324 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mm -105.35 116.81 59.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.445 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.34 117.66 5.19 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.267 1.978 . . . . 0.0 111.796 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -142.05 158.12 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.0 111.233 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.71 130.75 7.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.867 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 147' ' ' ALA . 3.3 p -104.98 143.36 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 111.786 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.4 ' HB ' HG11 ' A' ' 168' ' ' VAL . 2.7 p -132.93 162.81 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.023 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.03 125.9 5.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.859 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -97.6 -179.46 4.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.798 0.332 . . . . 0.0 110.369 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.419 ' HB3' HD13 ' A' ' 132' ' ' LEU . 73.6 mmtt 56.75 25.34 10.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 73.8 m -62.62 -20.14 64.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.8 -3.42 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.4 mt -105.53 78.69 1.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.077 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.87 -19.04 61.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -93.79 -34.53 13.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 95.5 mtt180 -87.14 0.39 55.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.37 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HB2' HD12 ' A' ' 95' ' ' ILE . 43.8 ttm105 -59.72 107.99 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.913 0.387 . . . . 0.0 111.081 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.16 -28.37 21.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.442 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.9 t -113.5 107.75 52.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.883 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.62 126.07 21.15 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.212 1.941 . . . . 0.0 111.74 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.2 p -47.39 -43.06 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.81 -48.81 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.48 -34.72 78.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.716 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.01 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 72.5 mtt180 -75.76 -47.74 24.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -52.7 -41.44 63.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.565 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -76.72 -47.53 21.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.51 ' HA ' ' NZ ' ' A' ' 146' ' ' LYS . . . -51.12 -27.98 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.047 0.451 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.41 -32.08 69.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.924 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.452 ' HG3' ' HA ' ' A' ' 146' ' ' LYS . 30.3 mt-10 -50.46 -46.54 56.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 110.798 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.413 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 35.9 m0 -66.62 -24.7 66.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.43 19.41 9.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.393 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.94 178.23 3.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 111.728 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.64 127.18 53.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.696 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.452 ' HD1' HG23 ' A' ' 125' ' ' VAL . 33.2 t80 -94.83 141.88 28.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.45 . . . . 0.0 111.511 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.24 154.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.58 142.45 27.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -149.59 162.12 40.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.3 t -132.4 111.33 11.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.09 -6.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.54 -43.63 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 36.4 p -92.36 -7.82 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.322 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? 35.89 39.29 0.07 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.974 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.03 -56.07 5.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.468 ' HB2' HG23 ' A' ' 157' ' ' THR . 4.6 m-20 -112.29 15.89 20.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.13 -40.74 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.648 0.261 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.07 -14.53 61.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -62.3 -44.16 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.4 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.2 m -71.34 -31.9 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.775 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -68.26 -48.34 65.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.82 -40.5 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.376 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.02 -51.06 70.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.014 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.61 -40.47 91.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.9 ttp -56.68 -38.29 72.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.9 -34.2 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.04 -47.95 83.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 66.8 mt -57.51 -32.7 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -75.29 -57.51 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.3 m -87.38 -58.93 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.475 ' HE3' ' HE2' ' A' ' 120' ' ' LYS . 80.8 tttt -58.1 -54.08 51.05 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 55.7 tttp -63.15 -56.05 20.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.96 -12.77 20.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.784 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.645 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.48 167.21 10.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.436 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 HD11 ' HZ1' ' A' ' 16' ' ' LYS . 3.0 tm? -136.78 100.36 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.321 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' NE2' ' HG2' ' A' ' 177' ' ' ARG . 74.5 m-70 -106.92 128.17 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.779 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HZ1' HD11 ' A' ' 14' ' ' LEU . 67.0 mttm -100.33 138.23 37.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.2 140.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.019 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.9 mm -106.54 129.73 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 tpt -82.03 104.5 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.639 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.3 t -92.92 163.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.75 164.18 26.93 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.377 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 17.9 t -49.54 -45.93 48.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 111.035 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.28 -3.97 1.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.228 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.72 18.68 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.429 HG22 ' HB3' ' A' ' 22' ' ' SER . 72.3 t -73.4 -71.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.18 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.19 45.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -49.77 -48.2 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.383 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 31' ' ' THR . 98.0 p -63.91 -29.88 71.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.408 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.68 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.201 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.13 -24.87 67.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 28' ' ' SER . 74.5 m -71.36 -41.28 69.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.663 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.89 -44.59 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.479 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -57.84 -39.3 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.379 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.26 -25.58 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 tpp -82.32 -50.24 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -108.59 -9.94 15.27 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 23.3 t70 60.9 32.47 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 0.0 110.469 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -149.15 154.93 39.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -92.23 108.25 19.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.97 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.25 142.87 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.63 101.97 14.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.05 130.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -140.46 137.42 33.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -122.96 138.7 30.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.57 ' HB2' ' HZ2' ' A' ' 47' ' ' LYS . 31.9 Cg_exo -58.87 153.68 49.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.313 2.009 . . . . 0.0 112.185 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -82.01 104.58 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.57 ' HZ2' ' HB2' ' A' ' 45' ' ' PRO . 41.9 mmtm -111.17 42.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 63.71 11.95 6.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.308 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.64 125.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.779 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.9 p -111.79 158.95 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -95.33 160.53 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -145.46 130.44 18.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -138.71 150.14 45.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -104.84 131.95 51.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.966 0.412 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -147.34 138.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -81.47 135.47 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' HE3' ' A' ' 173' ' ' MET . 69.6 mt -133.35 108.25 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 54.25 30.73 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.26 -34.29 5.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.831 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -90.15 113.57 25.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.9 tt0 -84.06 118.94 24.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.642 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -116.68 173.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.247 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -109.6 142.75 40.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.441 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -114.74 128.03 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -113.26 117.08 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.45 138.93 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -138.16 130.58 29.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.96 116.45 28.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.2 p -80.91 -20.16 42.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -174.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.407 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.88 0.372 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.29 -48.77 80.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.03 -34.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.48 -34.66 71.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -75.52 -33.53 60.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.728 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -79.31 -19.62 49.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.357 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.54 -4.97 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.244 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -105.52 -1.67 24.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -117.69 157.11 15.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.815 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.443 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 44.9 mt-10 -104.79 -8.68 18.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.99 159.46 23.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -136.56 133.75 36.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.575 0.226 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.64 109.45 9.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.949 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.639 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 3.5 tp -83.51 132.21 34.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.718 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.458 HG23 HG12 ' A' ' 126' ' ' VAL . 26.4 t -136.91 139.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HB3' HG21 ' A' ' 104' ' ' THR . 18.4 p90 -157.23 146.96 20.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.3 m -86.89 153.71 21.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.489 HD13 ' HE ' ' A' ' 136' ' ' ARG . 10.9 pt -78.55 -40.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.161 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.468 ' HG1' ' HZ2' ' A' ' 129' ' ' LYS . 18.3 p -56.4 -27.11 55.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -109.25 86.79 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.0 -16.83 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.17 -27.05 60.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.208 0.527 . . . . 0.0 110.084 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.558 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 49.7 m -63.08 -47.82 81.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.493 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.57 -40.34 71.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.017 0.437 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.6 p -71.54 -51.59 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.691 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.148 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.58 ' HB ' HD12 ' A' ' 91' ' ' LEU . 13.3 p -57.06 -31.81 65.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.058 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.64 -44.21 91.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -60.81 -25.73 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.31 -41.95 66.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.56 -35.97 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -61.88 -35.43 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.39 -42.46 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.577 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.51 -26.27 66.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.868 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -57.06 -51.38 69.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 111.601 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.515 HG21 ' HG2' ' A' ' 115' ' ' LYS . 13.9 m -68.09 -24.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.045 0.45 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.515 ' HG2' HG21 ' A' ' 114' ' ' VAL . 74.1 mmtt -118.82 57.15 0.88 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.384 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.31 30.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.417 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.41 -49.52 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.158 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 54.76 99.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.075 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.11 -43.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.822 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.06 81.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.8 mm -88.9 109.73 32.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.594 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.58 97.22 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.458 2.105 . . . . 0.0 111.522 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.423 ' HB3' HG12 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -122.83 149.59 43.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.3 tp -158.61 125.54 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.218 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.476 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -102.92 143.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.996 0.427 . . . . 0.0 111.888 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' A' ' 168' ' ' VAL . 9.5 p -143.51 160.03 16.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.975 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.45 136.97 13.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.105 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -107.93 -179.16 3.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HZ1' HD11 ' A' ' 132' ' ' LEU . 2.7 mmmp? 54.1 22.53 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -65.65 -8.62 21.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -4.42 7.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.49 HD11 ' HZ1' ' A' ' 129' ' ' LYS . 29.0 mt -121.46 81.24 1.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.065 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -12.58 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.652 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -93.89 -8.73 39.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -121.62 15.54 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.489 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.1 ttm105 -77.81 108.27 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.07 -32.77 18.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 138' ' ' VAL . 2.5 p -95.47 101.67 8.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.453 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 24.3 Cg_endo -61.93 131.68 36.14 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.143 1.895 . . . . 0.0 111.738 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.451 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -52.91 -41.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.5 -49.88 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.555 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.0 tt0 -72.59 -29.54 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.55 -28.57 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 31.7 mtt180 -73.85 -41.61 62.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.2 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -61.74 -45.52 93.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -47.6 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.949 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.428 ' HB2' HG11 ' A' ' 125' ' ' VAL . . . -66.97 -29.13 68.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.94 -32.25 73.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -51.9 -43.49 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.78 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -64.49 -24.93 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 27.41 5.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 123' ' ' LEU . 31.4 m -128.49 -178.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.274 0.559 . . . . 0.0 112.193 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -120.06 144.91 47.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.102 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.476 ' HD1' HG23 ' A' ' 125' ' ' VAL . 34.5 t80 -113.63 138.27 50.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.228 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.87 153.73 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.401 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.4 p -149.68 163.03 39.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.991 0.425 . . . . 0.0 111.614 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -127.39 110.9 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.522 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.18 -8.99 9.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.567 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.61 -45.09 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 56.0 p -87.38 -5.71 58.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 34.96 40.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.011 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.67 -56.28 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.855 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.489 ' HB2' HG22 ' A' ' 157' ' ' THR . 91.1 m-20 -112.41 18.63 18.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 168' ' ' VAL . 6.3 p -65.6 -39.09 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.8 -15.29 61.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -59.9 -38.17 81.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.871 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 m -76.96 -29.37 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -72.66 -44.74 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -72.0 -45.36 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.2 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.38 -47.65 83.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.75 -37.77 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.525 ' HE3' HD13 ' A' ' 57' ' ' LEU . 20.7 ttp -58.47 -49.18 78.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -58.54 -34.62 71.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.3 mm-40 -63.6 -49.49 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.6 mt -57.79 -32.11 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 181' ' ' MET . 49.1 mtp180 -74.55 -54.78 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.677 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 182' ' ' SER . 75.4 m -87.98 -59.41 2.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.7 tttt -58.57 -54.12 50.65 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 65.1 tttm -65.93 -38.89 89.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.8 mmt -81.09 -12.55 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.78 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 178' ' ' THR . 88.6 p . . . . . 0 C--O 1.233 0.191 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.636 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.1 158.13 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -117.6 121.6 41.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.041 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -116.82 149.49 39.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -126.86 102.72 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.78 127.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 ' HA3' ' A' ' 86' ' ' GLY . 25.6 mm -101.1 126.18 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.6 tpt -79.06 94.26 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.584 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -80.09 166.97 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 20' ' ' VAL . . . 178.18 157.92 19.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.393 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB3' HG21 ' A' ' 104' ' ' THR . 56.6 p -55.12 -49.74 70.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.49 -25.88 0.59 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.209 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.85 60.95 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.206 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 93' ' ' PHE . 53.5 t -118.73 -69.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.693 0.283 . . . . 0.0 111.365 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.42 47.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 16.2 ptpt -54.37 -38.66 66.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 110.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 31' ' ' THR . 66.3 p -67.02 -29.8 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.161 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.4 65.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.061 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.53 -24.8 67.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 28' ' ' SER . 63.8 m -73.9 -39.08 64.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.752 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.93 -49.14 48.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.717 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.493 ' HB2' HG23 ' A' ' 165' ' ' VAL . 15.9 mm100 -53.73 -35.89 61.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.279 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.578 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.2 ttm -82.16 -50.24 9.25 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.04 -15.8 9.23 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.91 58.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.309 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -151.23 127.59 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.95 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -93.32 107.39 19.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG21 ' H ' ' A' ' 42' ' ' ASP . 14.8 p -131.62 147.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.75 -13.58 61.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.619 ' H ' HG21 ' A' ' 40' ' ' VAL . 19.1 t70 -76.66 149.26 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -150.68 149.46 29.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -115.43 123.47 31.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.33 153.6 70.67 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.326 2.017 . . . . 0.0 112.178 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.491 ' HG1' ' HB2' ' A' ' 68' ' ' ASP . 99.9 m -117.42 127.23 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -105.65 -51.2 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.43 -2.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.911 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.37 136.93 37.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -115.09 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -113.6 141.2 47.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.303 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -145.99 136.0 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.333 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.81 172.23 17.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.534 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.86 128.59 56.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.15 137.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.877 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.53 139.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 HD21 HH11 ' A' ' 177' ' ' ARG . 53.5 tp -137.08 105.72 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 32.65 19.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.43 -33.52 6.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.359 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.82 114.16 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -85.44 130.78 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.76 149.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.14 137.3 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.6 t70 -121.91 114.23 20.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.41 140.29 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 111.569 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -129.72 113.62 14.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.491 ' HB2' ' HG1' ' A' ' 46' ' ' THR . 7.0 m-20 -93.79 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -138.12 177.66 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.01 -171.48 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.314 179.645 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.867 0.365 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -46.69 -47.48 20.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.225 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -53.44 -35.77 60.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.82 -48.52 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -59.32 -50.06 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.411 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.82 -18.9 63.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.184 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -77.77 -35.77 51.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -81.32 1.1 34.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -116.4 160.03 13.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.838 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.67 -62.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.562 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.33 163.34 32.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.246 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.9 143.07 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 0.0 111.055 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -134.03 110.66 9.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.584 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 8.4 tp -82.26 136.44 35.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.253 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.433 HG12 HG13 ' A' ' 126' ' ' VAL . 26.9 t -135.52 134.57 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' HG23 ' A' ' 104' ' ' THR . 12.5 p90 -152.31 154.67 36.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.474 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.466 ' HG ' ' HG2' ' A' ' 129' ' ' LYS . 52.5 m -100.98 149.56 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.024 0.44 . . . . 0.0 111.319 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.481 HD12 ' HE ' ' A' ' 136' ' ' ARG . 8.6 pt -75.43 -34.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.877 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -58.18 -40.62 81.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.672 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.26 100.45 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.693 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -62.83 -17.78 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.7 -26.82 60.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.445 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.1 m -63.69 -53.87 44.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.59 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.69 -38.92 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.833 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -71.41 -53.42 14.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.074 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -60.21 -43.44 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.147 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.572 ' HB ' HD13 ' A' ' 91' ' ' LEU . 8.7 p -53.86 -37.42 63.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 110.645 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.35 67.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.0 -44.1 97.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -55.82 -31.27 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.433 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.51 -48.51 62.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.87 -40.22 72.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.23 -25.51 65.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.9 mt -69.79 -39.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.56 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.28 -26.39 66.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.724 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -51.12 -50.98 57.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.751 0.31 . . . . 0.0 111.762 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 115' ' ' LYS . 7.1 m -69.67 -41.99 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.659 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.585 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.2 mmtt -93.23 31.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.313 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.94 -20.43 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.33 -19.29 22.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.91 177.46 6.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.34 -72.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -70.06 125.28 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.1 mm -123.57 104.37 34.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.312 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.96 123.42 12.56 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.422 2.081 . . . . 0.0 111.761 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.5 tp -144.28 156.34 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 tp -163.41 125.93 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.445 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -101.24 143.83 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.433 HG13 HG12 ' A' ' 92' ' ' VAL . 13.0 p -140.38 148.12 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.94 131.43 10.55 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.908 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -100.34 -176.47 3.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.466 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 46.0 mmtm 56.84 23.4 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -60.2 -26.21 66.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.685 0.279 . . . . 0.0 111.479 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.26 -8.89 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.483 HD11 ' HD2' ' A' ' 135' ' ' ARG . 50.2 mt -112.35 79.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.71 -29.15 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -76.79 -17.65 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.483 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.9 mtt180 -106.9 9.43 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HE ' HD12 ' A' ' 95' ' ' ILE . 43.3 ttm105 -77.88 113.22 15.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -93.99 -30.33 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.03 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.92 107.86 59.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.416 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.6 144.99 95.22 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.177 1.918 . . . . 0.0 111.375 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -55.68 -43.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.818 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.78 -49.58 74.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.64 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.61 -30.97 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.07 55.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.1 mtt180 -68.04 -44.51 76.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.375 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -61.19 -51.55 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.17 86.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.413 ' HB2' HG13 ' A' ' 125' ' ' VAL . . . -65.54 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.627 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.92 -32.57 72.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -52.82 -41.55 64.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -68.78 -22.58 64.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.86 31.97 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.443 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -133.37 -176.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.087 0.47 . . . . 0.0 111.409 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -125.41 133.09 52.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.793 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.445 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -98.18 142.72 29.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.165 0.507 . . . . 0.0 111.836 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.6 150.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.892 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.67 138.7 31.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.443 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 164' ' ' ASN . 47.0 p -148.22 159.03 44.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -132.3 110.62 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.468 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.32 -9.68 2.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.479 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.6 p -90.19 -3.31 57.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.459 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? 33.6 40.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.57 0.543 . . . . 0.0 111.972 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -56.12 4.72 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.48 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.06 16.58 20.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.669 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.493 HG23 ' HB2' ' A' ' 33' ' ' GLN . 9.1 p -66.99 -42.08 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.703 0.287 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.89 -18.95 60.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -67.34 -31.74 72.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.338 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.7 m -73.11 -29.6 29.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 111.377 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -75.31 -45.21 41.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -72.01 -32.24 66.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.76 -53.86 23.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.043 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 176' ' ' ILE . 67.1 tp -64.07 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.5 ttm -54.35 -44.88 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -67.22 -38.67 85.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.14 -28.58 69.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 92.3 mt -72.2 -51.53 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.406 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.4 ptm180 -73.68 -25.59 60.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.94 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 56.6 m -88.6 -60.02 2.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -71.61 -54.83 9.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -60.34 -53.72 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -60.56 -20.31 60.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 0.0 111.654 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 111.035 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.62 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 9.0 mp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.67 168.82 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -134.17 107.45 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.995 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -107.62 152.4 24.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.8 mttt -129.55 139.91 51.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -121.27 131.74 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.493 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.6 mm -111.06 114.44 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.532 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.33 93.62 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.994 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 91' ' ' LEU . 10.8 p -103.9 163.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 173.32 -160.77 31.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.779 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.466 ' N ' HG22 ' A' ' 104' ' ' THR . 27.5 t -62.37 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.945 0.402 . . . . 0.0 111.047 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.83 -16.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.393 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.24 52.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.603 HG21 ' HA ' ' A' ' 93' ' ' PHE . 55.0 t -106.29 -37.78 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.64 53.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.722 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -73.7 -24.3 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.614 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.8 p -77.54 -29.43 52.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.36 -52.91 42.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.634 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD11 HG11 ' A' ' 92' ' ' VAL . 2.0 mt -55.68 -25.74 41.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' SER . 41.2 m -68.47 -57.57 5.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.416 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.3 -29.43 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.4 mm100 -71.04 -43.68 67.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.393 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.73 -29.06 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 31' ' ' THR . 79.9 mmm -81.75 -47.61 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -97.52 -7.68 30.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 30.88 15.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.039 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -161.33 159.28 28.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.568 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.447 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 43.7 t80 -90.26 107.1 18.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.091 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -142.95 146.07 22.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -95.34 132.99 39.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.68 -42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.1 t80 59.69 98.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -145.85 108.55 4.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.37 139.96 67.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.247 1.964 . . . . 0.0 112.035 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -107.51 143.44 35.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -136.46 -30.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.433 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -172.53 -8.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.608 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.49 134.19 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.015 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -133.99 159.17 41.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -99.11 163.26 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -151.07 144.69 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.717 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -163.85 173.4 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.84 127.22 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.8 147.26 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -90.65 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.463 HD22 HH11 ' A' ' 177' ' ' ARG . 57.2 tp -143.15 112.14 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 59.11 31.05 20.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.01 80.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.81 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.74 114.08 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.72 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -78.71 135.21 37.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.33 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.89 146.83 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.914 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.02 121.56 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 HD12 ' HE1' ' A' ' 173' ' ' MET . 15.5 tt -107.43 140.02 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.326 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.7 t70 -118.55 120.5 37.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.219 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG13 ' SD ' ' A' ' 35' ' ' MET . 19.8 mm -95.18 137.7 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.32 99.76 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.355 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 7.2 p-10 -92.83 140.79 29.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -108.78 -177.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.27 168.64 15.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.549 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.713 0.292 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.92 -36.44 72.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.411 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.01 -36.9 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.06 -43.1 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.674 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -62.61 -44.61 95.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -63.76 -25.28 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -84.38 -16.55 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -86.75 6.52 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.378 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.97 173.95 24.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.8 -31.01 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' HB2' ' A' ' 122' ' ' PRO . . . -104.52 156.15 17.21 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.562 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -136.12 134.64 38.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' A' ' 124' ' ' LEU . 23.8 mt -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.037 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.25 123.05 28.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.947 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.413 HG21 HG12 ' A' ' 126' ' ' VAL . 15.5 t -127.42 138.73 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.603 ' HA ' HG21 ' A' ' 25' ' ' VAL . 16.6 p90 -151.06 140.44 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.562 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 t -81.46 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.013 0.435 . . . . 0.0 111.463 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.442 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.1 pt -73.43 -33.51 40.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.568 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 HD23 ' A' ' 132' ' ' LEU . 67.8 p -62.99 -22.28 66.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.16 0.505 . . . . 0.0 109.886 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -124.41 87.66 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -59.46 -16.37 23.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.8 -27.02 68.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.086 0.47 . . . . 0.0 110.27 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 104' ' ' THR . 23.4 m -73.34 -39.23 65.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.787 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -50.91 -49.56 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.875 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -72.29 -48.8 39.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.799 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.7 67.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.661 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 91' ' ' LEU . 35.7 p -62.56 -31.42 72.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.814 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.42 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.232 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.78 -41.33 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.539 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.68 -24.7 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -49.81 -49.13 49.94 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.47 -34.0 71.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.77 -38.27 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.94 -43.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.506 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -26.23 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.938 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -51.18 -50.22 59.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.559 HG22 ' HG2' ' A' ' 115' ' ' LYS . 11.0 m -74.15 -42.16 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.691 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.8 mmtt -93.95 38.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.839 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.63 -10.96 56.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.398 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -101.61 -10.94 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -98.97 156.04 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -97.37 -66.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -79.38 115.91 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.5 mm -109.82 109.57 59.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.506 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 49.1 Cg_exo -55.65 106.29 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.31 2.007 . . . . 0.0 112.012 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.2 tp -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.966 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.46 ' HB3' HD22 ' A' ' 90' ' ' LEU . 45.9 tp -160.66 113.4 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.655 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 154' ' ' TYR . 3.8 p -83.4 144.5 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.617 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG21 ' A' ' 92' ' ' VAL . 4.3 p -148.27 161.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.34 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.58 128.97 6.93 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.869 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -97.11 -176.73 3.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.373 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.472 ' HB3' HD13 ' A' ' 132' ' ' LEU . 26.5 mmmt 57.0 25.72 11.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.4 t -63.37 -19.52 64.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.227 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.14 -9.32 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.526 HD22 ' HD3' ' A' ' 135' ' ' ARG . 3.5 mp -109.91 85.02 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.11 -43.04 62.26 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.552 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.83 -6.74 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.861 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.526 ' HD3' HD22 ' A' ' 132' ' ' LEU . 18.4 mtp180 -118.85 3.65 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.2 ttm180 -69.68 107.91 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.477 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.04 -32.79 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 1.8 p -95.43 104.15 14.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.11 126.52 18.89 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.177 1.918 . . . . 0.0 111.695 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.8 p -50.38 -41.27 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.316 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.09 -48.58 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.507 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -69.9 -43.31 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.51 69.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 45.6 mtt180 -72.21 -43.46 64.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.6 t -58.42 -38.82 78.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.512 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -75.98 -47.9 23.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.59 67.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.879 0.371 . . . . 0.0 111.559 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.69 -30.83 67.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.052 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.31 -44.55 54.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.512 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 33.0 m0 -67.55 -26.26 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.0 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.0 15.67 17.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.733 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.66 -175.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -124.78 128.65 49.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.467 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.538 ' HB2' HG13 ' A' ' 125' ' ' VAL . 44.8 t80 -94.71 139.87 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 111.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.03 154.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.456 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.13 146.83 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.714 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.5 p -151.37 152.74 33.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.468 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.7 m -121.35 110.31 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.56 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.4 -2.77 14.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.521 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.08 -55.55 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.406 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 5.8 t -85.7 -1.31 57.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 161' ' ' THR . 6.8 ppt_? 36.08 38.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.206 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.63 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.757 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -108.47 16.1 23.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.77 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.424 ' O ' HG21 ' A' ' 168' ' ' VAL . 11.8 p -68.79 -36.89 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.92 -15.04 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -60.72 -39.8 89.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 165' ' ' VAL . 31.3 m -72.05 -26.78 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -74.4 -46.34 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -72.49 -43.68 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.537 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.03 -49.7 75.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.12 -32.47 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.418 ' HE1' HD12 ' A' ' 64' ' ' ILE . 50.6 ttm -57.56 -39.62 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -69.43 -38.5 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.21 -47.56 80.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.321 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 83.0 mt -57.4 -34.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.375 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.463 HH11 HD22 ' A' ' 57' ' ' LEU . 80.0 mtp180 -75.93 -51.23 12.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.075 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 37.5 m -87.4 -59.15 2.33 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -61.93 -54.14 46.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.8 tttm -62.93 -54.74 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -62.52 -12.71 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.573 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.288 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.54 177.05 6.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.71 103.53 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -106.44 121.56 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.788 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.5 mttt -100.64 127.1 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.13 136.89 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -112.81 125.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.285 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.507 ' HE2' ' HB2' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -67.51 91.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.378 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.52 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.87 -158.29 28.97 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.418 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.558 ' N ' HG21 ' A' ' 104' ' ' THR . 73.2 p -66.48 -48.35 70.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.127 0.489 . . . . 0.0 110.347 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.17 32.74 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.151 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.72 -96.81 0.16 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.789 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 93' ' ' PHE . 5.3 m 47.61 14.85 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.139 0.576 . . . . 0.0 112.451 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.16 35.77 37.22 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.975 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.0 ptpt -59.87 -28.93 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB ' ' A' ' 31' ' ' THR . 54.4 p -72.4 -28.76 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.519 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.3 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.616 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 1.9 mm? -61.19 -25.3 66.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.51 HG21 HG23 ' A' ' 66' ' ' ILE . 28.3 m -71.47 -42.82 67.66 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.432 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.726 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' HB2' HG23 ' A' ' 165' ' ' VAL . 16.2 mm100 -55.54 -41.33 73.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.36 . . . . 0.0 111.39 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.26 -25.38 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.475 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.4 ttm -82.18 -49.76 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.33 -2.8 11.06 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.9 m-20 56.22 41.61 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.47 140.88 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.624 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -81.2 118.53 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -126.42 145.94 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.33 -34.74 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.144 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -59.07 120.21 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -121.08 146.03 47.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -134.26 100.47 12.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.52 156.55 11.06 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.529 2.153 . . . . 0.0 112.514 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -125.04 149.05 48.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.289 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -85.64 -51.19 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.738 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.01 -1.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.11 136.59 41.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.8 p -110.87 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 43.3 m-85 -109.6 150.46 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.491 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -139.42 144.88 38.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.427 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -161.85 155.54 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.539 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.51 131.57 40.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.025 0.44 . . . . 0.0 111.418 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -146.37 137.37 18.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.2 p -89.72 144.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.077 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 tp -138.69 106.4 5.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 56.63 31.71 19.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.03 -37.4 3.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.592 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -87.53 114.31 24.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.3 tt0 -82.67 116.26 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.72 143.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -81.52 128.41 33.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 tt -105.5 135.86 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.507 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 17.2 t70 -125.96 115.79 20.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.51 HG23 HG21 ' A' ' 31' ' ' THR . 74.0 mt -103.6 131.09 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 tp -137.77 131.29 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -171.31 154.33 3.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.458 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 m -151.19 73.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.77 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.548 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.794 179.513 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.895 0.378 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -62.9 -34.61 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -52.38 -35.16 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -70.83 -46.92 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.11 -29.55 70.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -77.06 -28.58 54.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.9 p -87.86 12.03 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.459 ' HA3' HG12 ' A' ' 18' ' ' ILE . . . -128.94 134.0 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.59 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.04 -51.98 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.463 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -101.6 170.06 20.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.412 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -136.34 137.99 41.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.692 0.282 . . . . 0.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.6 mt -123.21 104.4 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.62 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -82.74 128.86 34.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.651 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -135.01 139.69 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.387 . . . . 0.0 112.041 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.698 ' HB3' HG22 ' A' ' 104' ' ' THR . 25.6 p90 -146.78 162.97 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 49.6 m -99.24 132.44 44.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 129' ' ' LYS . 21.2 pt -64.02 -31.94 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.3 t -81.81 -3.14 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 15.6 mm-40 -123.27 90.35 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.16 -15.98 58.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.37 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.36 -26.84 62.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -77.57 -45.36 25.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.487 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -49.7 -40.16 39.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.722 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.5 p -72.61 -54.96 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -58.47 -43.12 88.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.698 HG22 ' HB3' ' A' ' 93' ' ' PHE . 21.3 p -54.13 -40.61 67.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 110.181 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.87 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.887 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 11.1 tp10 -70.65 -29.15 65.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.966 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.03 -27.58 54.58 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -52.0 -43.17 63.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.55 -29.96 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.77 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -70.1 -32.63 70.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.98 -43.99 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.297 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.53 -26.61 66.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.5 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -62.23 -50.5 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.347 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.51 HG21 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.98 -11.23 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.061 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 114' ' ' VAL . 74.7 mmtt -127.05 58.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.97 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.05 22.63 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.681 -179.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -137.55 -45.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.003 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.506 ' HE3' ' HZ2' ' A' ' 179' ' ' LYS . 42.9 tptt -157.89 78.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.001 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.21 117.75 20.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.982 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.463 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.1 Cg_endo -86.5 100.8 0.58 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.511 2.14 . . . . 0.0 111.73 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.1 tp -111.39 166.48 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.067 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.48 ' HB3' HD21 ' A' ' 90' ' ' LEU . 54.3 tp -166.43 122.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.405 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.471 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -101.13 142.82 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 111.546 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.54 HG11 HG13 ' A' ' 168' ' ' VAL . 16.4 t -143.56 150.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.664 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.68 128.15 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -100.21 -167.0 1.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.529 0.204 . . . . 0.0 110.475 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.445 ' O ' HD13 ' A' ' 95' ' ' ILE . 11.2 mmmm 62.38 18.23 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.5 m -57.7 -26.49 61.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.44 -19.19 13.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.51 HD12 ' HD2' ' A' ' 135' ' ' ARG . 26.1 mt -101.38 79.76 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.507 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.84 -14.44 61.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.32 -18.01 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.51 ' HD2' HD12 ' A' ' 132' ' ' LEU . 99.5 mtt180 -103.21 4.78 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.428 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.78 107.8 9.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.365 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -94.62 -29.29 14.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.7 t -92.84 110.27 44.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 125.09 17.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.973 1.782 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.98 -45.34 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.335 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.08 -42.46 94.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.933 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -31.0 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.65 -31.44 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.5 mtt180 -71.83 -39.61 69.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -63.16 -50.04 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.537 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.0 OUTLIER -62.37 -48.15 81.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 111.181 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.99 -31.98 52.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.6 -48.55 63.19 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.729 0.3 . . . . 0.0 110.75 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.537 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 19.6 m0 -66.69 -23.42 66.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.051 0.453 . . . . 0.0 110.323 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.32 27.32 5.88 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.779 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.88 -175.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 111.778 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -131.1 129.55 42.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.471 ' HD1' HG22 ' A' ' 125' ' ' VAL . 43.9 t80 -94.97 141.29 28.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.28 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.06 154.84 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.686 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.3 145.82 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.304 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 164' ' ' ASN . 26.6 p -152.8 174.9 13.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 111.854 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -152.87 110.61 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.73 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' A' ' 30' ' ' LEU . . . -65.46 -5.67 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -91.16 -37.75 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -96.62 -5.85 38.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.15 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.543 0.527 . . . . 0.0 111.659 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.27 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.57 ' HB2' HG23 ' A' ' 157' ' ' THR . 71.5 m-20 -111.79 12.09 20.94 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.3 p -59.45 -41.57 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.85 -21.44 60.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.113 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -69.09 -30.92 69.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.832 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.54 HG13 HG11 ' A' ' 126' ' ' VAL . 3.2 m -72.69 -30.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.357 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -74.68 -45.27 45.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.18 -33.08 67.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.93 -47.44 80.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.361 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.8 tp -72.59 -32.43 65.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -55.46 -41.05 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.55 -34.35 75.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 14.0 mm-40 -63.62 -48.98 75.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.3 mt -57.07 -32.18 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 181' ' ' MET . 78.4 mtp180 -74.72 -58.45 3.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 182' ' ' SER . 59.4 m -87.8 -58.93 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.506 ' HZ2' ' HE3' ' A' ' 120' ' ' LYS . 55.0 tttp -55.83 -54.06 49.2 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 88.0 tttt -64.4 -58.26 6.97 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -59.88 -14.05 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 178' ' ' THR . 43.2 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.819 0.342 . . . . 0.0 110.605 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.22 178.42 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.946 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -140.47 105.34 4.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -106.23 131.59 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -111.81 106.69 15.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 111.457 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.68 135.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.086 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 HD13 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.31 139.47 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.47 89.92 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.0 p -97.71 153.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.528 ' HA3' ' HE2' ' A' ' 27' ' ' LYS . . . -173.29 -160.61 22.11 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.576 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 p -69.88 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.12 33.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.21 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.01 60.72 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 93' ' ' PHE . 25.0 t -116.68 -43.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.04 48.44 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HE2' ' HA3' ' A' ' 21' ' ' GLY . 20.6 mmtp -55.53 -39.98 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.096 0.474 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.2 p -69.64 -29.74 67.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.579 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.62 -53.23 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.33 -24.18 67.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 28' ' ' SER . 77.6 m -73.93 -38.69 64.19 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.292 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.69 -49.27 41.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.659 HE21 ' HG2' ' A' ' 162' ' ' ARG . 5.9 mm100 -54.59 -40.62 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.733 0.301 . . . . 0.0 111.165 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -72.71 -25.0 61.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.639 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.7 tpp -81.16 -49.57 10.66 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -118.12 3.59 12.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.4 m-20 55.15 35.6 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HA ' ' NH1' ' A' ' 162' ' ' ARG . 40.5 tt0 -148.12 150.9 34.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -92.46 124.03 36.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.04 146.99 32.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -82.68 -38.22 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.2 173.85 12.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 111.303 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -162.29 -176.22 4.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 19.7 mm-40 -126.91 135.91 28.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.8 Cg_exo -60.38 152.99 63.26 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.355 2.037 . . . . 0.0 111.983 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 m -110.42 124.97 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.231 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.25 -45.48 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.54 -9.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' H ' ' H ' ' A' ' 48' ' ' ALA . 14.0 m-20 -71.59 130.16 40.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -111.79 153.75 26.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 65.3 m-85 -96.21 120.66 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.725 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 49.4 ttp180 -128.08 149.59 50.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -164.73 164.71 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -100.9 126.55 47.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.08 157.17 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.226 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.2 p -105.62 143.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -141.43 111.73 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.04 31.12 19.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.0 15.18 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.926 -0.655 . . . . 0.0 112.649 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -89.97 114.15 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -83.67 120.03 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.07 175.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.08 147.89 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.9 tt -126.11 134.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.7 t70 -123.15 114.91 20.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.93 137.56 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.61 110.89 11.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.13 146.45 35.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -138.79 114.42 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.34 177.43 5.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.751 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -46.27 -43.43 15.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.207 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 10.1 m-20 -53.81 -43.5 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.93 -44.9 78.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.442 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -60.3 -33.23 72.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HB2' HG12 ' A' ' 114' ' ' VAL . 48.8 m-85 -80.08 -24.62 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 98.2 mtt180 -74.96 -22.68 58.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.1 p -93.95 10.21 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -133.81 159.79 23.83 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.88 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -103.93 -54.7 2.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.61 161.35 29.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.19 138.3 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 168' ' ' VAL . 1.8 tt -131.95 106.28 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.638 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -83.0 132.82 35.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.024 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.71 137.91 48.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.512 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.639 ' HB3' HG23 ' A' ' 104' ' ' THR . 17.1 p90 -152.03 149.52 28.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.656 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 53.4 m -74.48 141.68 44.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 96' ' ' THR . 28.0 pt -76.92 -36.26 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.211 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.481 ' N ' HG13 ' A' ' 95' ' ' ILE . 4.9 t -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 0.6 OUTLIER -101.43 94.62 6.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.706 179.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -14.99 50.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.13 -27.22 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.434 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 77.6 p -77.95 -43.43 29.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.702 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -56.65 -34.67 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.001 0.429 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -72.3 -53.76 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.998 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.55 91.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 93' ' ' PHE . 10.0 p -56.99 -31.64 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.7 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.64 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.75 -46.67 81.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.034 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.28 -24.8 63.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.545 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.5 tmt_? -51.38 -54.67 24.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.214 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.07 -29.79 66.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.511 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 78.6 mt-30 -63.67 -31.0 72.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.988 0.423 . . . . 0.0 110.36 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.03 -39.15 82.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.607 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.99 -26.92 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -57.24 -50.6 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.701 -179.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.564 HG22 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.15 -22.96 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.83 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HG2' HG22 ' A' ' 114' ' ' VAL . 74.6 mmtt -121.61 39.4 3.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.05 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.462 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.66 -37.77 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.42 135.31 34.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.88 -37.18 40.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.2 mptm? -89.48 128.72 36.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.8 mm -126.67 105.71 23.45 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.2 106.4 0.81 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.329 2.019 . . . . 0.0 112.11 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 160.44 30.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.52 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.4 OUTLIER -168.43 127.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.78 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 154' ' ' TYR . 4.1 p -105.66 143.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.978 0.418 . . . . 0.0 111.665 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.591 HG11 HG12 ' A' ' 168' ' ' VAL . 13.7 t -143.49 138.5 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.94 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.78 134.39 11.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.909 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -103.3 -178.29 3.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 110.382 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? 58.54 24.2 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.432 ' HA ' HD11 ' A' ' 95' ' ' ILE . 36.8 t -58.44 -17.12 18.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 135' ' ' ARG . 38.8 mt -94.91 82.27 3.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.29 -20.0 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -87.3 -35.88 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.449 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.7 mtt180 -87.53 5.12 40.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.8 ttm105 -65.69 108.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -87.43 -25.96 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.2 t -104.21 100.15 20.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.031 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.81 132.3 48.77 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.087 1.858 . . . . 0.0 111.394 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -50.43 -44.7 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.069 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.8 -49.58 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.129 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.72 -31.49 70.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.854 0.359 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.11 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 91.7 mtt180 -72.17 -33.58 67.81 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 -46.54 80.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.75 64.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.767 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.58 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.699 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.46 -31.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.53 -48.67 65.91 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.777 0.323 . . . . 0.0 110.983 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.443 ' HB2' HG22 ' A' ' 152' ' ' VAL . 9.5 m0 -69.25 -14.27 62.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 7.2 51.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.443 HG22 ' HB2' ' A' ' 150' ' ' TRP . 2.9 m -107.15 168.47 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.345 0.593 . . . . 0.0 112.419 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.32 135.09 53.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.484 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.454 ' HA ' HG12 ' A' ' 125' ' ' VAL . 20.1 t80 -100.92 143.78 30.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.535 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.62 152.78 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.47 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.4 136.61 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' ' 164' ' ' ASN . 81.9 p -147.83 153.74 39.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.997 0.427 . . . . 0.0 111.701 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.4 t -130.7 111.7 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.31 -14.94 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -83.12 -29.3 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 73.0 p -95.82 -18.42 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.659 ' HG2' HE21 ' A' ' 33' ' ' GLN . 1.0 OUTLIER 47.35 32.12 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.27 4.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.589 ' HB2' HG23 ' A' ' 157' ' ' THR . 69.3 m-20 -112.25 10.77 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 33' ' ' GLN . 49.6 t -59.19 -50.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.3 -14.66 62.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.969 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 167' ' ' LYS . 6.0 tmmm? -74.29 -30.83 62.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.821 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.591 HG12 HG11 ' A' ' 126' ' ' VAL . 3.3 m -74.49 -27.34 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.629 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.8 -44.48 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -72.03 -29.34 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.316 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.4 -43.37 81.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 110.8 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 124' ' ' LEU . 64.5 tp -72.65 -32.55 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.06 -44.47 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 91.5 mtt180 -58.06 -42.17 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.96 -45.76 92.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.486 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 68.9 mt -59.17 -32.27 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.252 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 174' ' ' ARG . 53.4 mtm180 -74.69 -54.34 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.843 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 182' ' ' SER . 96.6 m -87.24 -59.19 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -61.0 -53.69 54.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtm? -61.89 -55.62 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.4 -13.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.64 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 178' ' ' THR . 46.7 t . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.605 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.24 163.88 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -139.77 109.0 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.804 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.52 148.8 35.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 91.4 mttt -124.2 124.03 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.86 131.26 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.8 mm -99.83 111.75 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.424 ' HE1' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.04 102.44 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 91' ' ' LEU . 12.4 p -115.1 159.82 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 168.17 85.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.876 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.561 ' HB2' HG21 ' A' ' 104' ' ' THR . 30.1 t 61.01 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.333 . . . . 0.0 111.414 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.27 -31.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.505 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.98 55.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -111.78 -65.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.06 41.02 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -50.61 -41.38 54.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.917 0.389 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 31' ' ' THR . 87.0 p -66.55 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.26 66.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.929 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 2.2 mm? -65.39 -25.18 67.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 28' ' ' SER . 90.1 m -67.16 -46.33 74.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.096 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.42 -42.92 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.0 mm100 -57.41 -37.06 72.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.419 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -72.24 -25.16 61.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.9 tpp -81.84 -49.57 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.06 -9.18 14.39 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.2 m-20 57.25 32.29 21.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -146.7 135.91 22.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -91.7 108.18 19.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.5 141.54 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.17 106.35 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -147.36 174.72 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -157.44 106.6 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -122.06 103.9 38.98 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.88 124.7 13.51 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.219 1.946 . . . . 0.0 112.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.2 m -89.85 123.57 33.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -114.97 -41.07 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -14.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.05 127.09 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB3' HD21 ' A' ' 67' ' ' LEU . 80.0 p -113.09 174.63 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -108.38 145.77 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -142.03 133.36 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.539 ' HZ3' HG11 ' A' ' 55' ' ' VAL . 4.8 ptmm? -154.72 144.97 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -94.44 124.54 38.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HZ3' ' A' ' 53' ' ' LYS . 18.6 m -135.87 142.26 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -85.99 140.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 174' ' ' ARG . 55.6 tp -147.99 118.69 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 58.28 31.55 20.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.744 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 34.94 34.24 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.715 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.61 114.99 4.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.761 0.315 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.1 tt0 -77.63 117.43 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.8 145.1 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -88.76 125.91 35.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -108.92 135.21 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.8 t70 -117.33 113.61 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.1 mt -102.67 139.69 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 50' ' ' SER . 0.9 OUTLIER -136.68 108.12 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.0 136.26 33.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.1 p -106.38 160.5 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.71 -163.59 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.064 179.482 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.966 0.412 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -50.9 -37.62 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.368 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.15 -36.19 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.185 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -57.58 -42.97 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.358 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -66.75 -43.17 84.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.617 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.446 ' HB3' HG23 ' A' ' 114' ' ' VAL . 59.2 m-85 -61.31 -22.08 64.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -84.12 -19.05 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.9 t -81.42 3.31 24.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.449 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -153.72 157.26 27.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -97.6 -38.93 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.33 162.05 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -138.3 125.16 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.732 0.301 . . . . 0.0 110.735 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 168' ' ' VAL . 1.3 tt -111.87 102.85 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.716 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' A' ' 104' ' ' THR . 15.3 tp -83.77 133.27 34.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.015 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 126' ' ' VAL . 66.3 t -142.31 121.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' HG23 ' A' ' 104' ' ' THR . 23.3 p90 -119.12 150.53 39.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.822 0.344 . . . . 0.0 110.44 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.1 t -89.99 141.41 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.418 HD11 ' HE ' ' A' ' 136' ' ' ARG . 21.7 pt -77.64 -27.41 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 p -73.9 -20.69 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 45.9 mt-10 -123.3 104.57 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -63.38 -16.45 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.234 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 11.8 pt-20 -69.99 -26.69 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.039 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -71.68 -53.5 13.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.161 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.64 -39.76 37.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.608 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.5 p -73.18 -53.97 9.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.38 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.51 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.612 ' HB ' HD21 ' A' ' 91' ' ' LEU . 13.7 p -61.17 -31.86 71.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.0 -42.6 57.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.79 -38.8 89.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.516 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.57 -23.92 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.966 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -48.27 -50.85 28.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.88 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.28 -34.05 76.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.34 -38.19 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.85 -25.4 65.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.955 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -49.81 -51.17 41.67 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.608 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -66.46 -52.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.1 mmtt -86.37 51.64 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -41.98 40.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -53.71 -45.65 70.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.947 0.403 . . . . 0.0 110.148 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 57.1 104.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.848 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -132.59 -52.56 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.708 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -146.67 78.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.027 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.16 112.43 27.98 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.75 127.51 9.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.701 2.267 . . . . 0.0 111.454 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 tp -148.48 150.58 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 111.608 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.2 tp -159.31 123.9 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.863 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.571 HG12 ' HB1' ' A' ' 147' ' ' ALA . 3.1 p -97.97 143.34 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.986 0.422 . . . . 0.0 111.895 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 92' ' ' VAL . 12.0 t -141.2 155.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.814 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.31 134.28 11.47 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.252 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.13 -174.86 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.408 ' O ' HD13 ' A' ' 95' ' ' ILE . 32.3 mmtp 55.83 22.81 5.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 t -58.84 -17.55 24.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.309 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -76.31 11.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -132.38 76.31 1.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.51 -20.27 61.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -83.31 -24.71 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.5 mtt180 -103.71 0.25 30.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 136' ' ' ARG . 42.0 ttm180 -62.44 107.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.51 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -89.02 -27.51 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -102.73 103.58 33.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.09 130.08 37.66 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.135 1.89 . . . . 0.0 111.357 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -52.3 -45.75 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.356 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.44 -49.33 77.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.017 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.97 -27.74 69.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.65 56.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.768 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.3 mtt180 -68.8 -40.4 79.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 t -64.13 -51.21 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.308 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -39.8 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.804 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.571 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -65.94 -37.82 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.248 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.67 -43.25 72.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -70.44 -0.34 8.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.198 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.85 30.03 53.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 160.62 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 111.349 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -102.17 129.64 48.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.92 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HD1' HG23 ' A' ' 125' ' ' VAL . 26.0 t80 -95.14 145.48 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.043 0.449 . . . . 0.0 111.411 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.58 151.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.82 146.55 24.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.5 p -152.64 149.15 28.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.943 0.402 . . . . 0.0 111.545 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.4 p -115.93 110.52 19.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.557 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.609 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -87.61 -47.31 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.4 p -96.66 -2.31 44.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 33.84 45.21 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.618 0.574 . . . . 0.0 111.763 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.31 -55.65 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.297 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -112.06 14.54 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.5 p -66.82 -32.8 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.46 -26.11 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -61.64 -34.7 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.877 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.591 HG22 HD12 ' A' ' 90' ' ' LEU . 3.5 m -73.4 -31.97 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.685 0.278 . . . . 0.0 111.545 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -74.45 -43.25 57.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.731 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -71.72 -33.46 68.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.063 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.45 -53.04 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.23 -32.39 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.89 -47.33 74.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 57' ' ' LEU . 79.8 mtp180 -62.97 -34.46 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.32 -46.06 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 69.9 mt -59.11 -32.11 47.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.82 -51.67 13.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.677 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 92.9 m -87.25 -58.97 2.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -62.1 -53.8 50.3 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtt? -61.13 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.642 0.258 . . . . 0.0 111.454 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.2 mmt -72.43 -12.66 61.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.412 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' H2 ' HD11 ' A' ' 12' ' ' LEU . 9.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.23 130.67 47.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -111.79 111.47 22.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -104.9 141.93 35.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.51 105.61 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.71 131.97 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mm -94.18 135.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.486 ' HE2' ' HB2' ' A' ' 30' ' ' LEU . 5.1 tpt -87.82 89.28 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 21' ' ' GLY . 14.7 p -107.19 160.6 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 160.05 82.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.78 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.523 ' HB2' HG22 ' A' ' 104' ' ' THR . 30.1 t 63.11 -83.26 0.02 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.974 0.416 . . . . 0.0 111.022 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.71 -85.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.119 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 67.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.107 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 93' ' ' PHE . 97.9 t -109.72 -57.62 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 154.38 31.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.173 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 81.2 mttt -46.97 -43.12 18.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.432 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 31' ' ' THR . 95.0 p -69.78 -30.27 67.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.477 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -52.74 63.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.312 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 1.9 mm? -64.08 -24.79 67.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 28' ' ' SER . 94.8 m -69.86 -46.72 64.93 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.683 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.05 -40.78 74.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.398 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.14 -39.84 79.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -72.36 -24.93 61.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.498 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -79.17 -49.36 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -109.8 -3.04 16.95 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 55.52 32.01 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.787 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.98 148.06 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -94.56 110.63 22.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -134.13 143.74 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.82 104.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -143.83 172.19 13.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -162.04 102.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -121.55 99.39 45.23 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.4 156.58 45.56 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.409 2.073 . . . . 0.0 112.064 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 m -70.59 96.08 1.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 9.9 mmpt? -98.06 36.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 65.93 7.03 4.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.78 125.86 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m -100.6 160.46 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -98.95 147.2 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.559 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -143.73 138.64 28.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.936 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -152.33 137.17 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 10.6 mtmp? -89.08 119.7 29.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.381 . . . . 0.0 111.125 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.2 144.11 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -79.67 144.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HG2' ' A' ' 174' ' ' ARG . 52.0 tp -140.79 109.27 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.757 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 56.22 31.13 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.24 -30.49 9.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.7 119.05 36.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.38 131.13 34.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.49 148.93 26.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -85.43 135.35 33.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -110.28 140.76 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 14.5 t70 -122.04 114.16 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -108.55 129.8 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.01 105.37 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.301 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -72.27 146.47 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.211 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.9 p -123.76 112.09 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.73 175.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.894 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.487 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 43.0 mt . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.943 0.401 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -57.63 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.303 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 95.9 m-20 -52.29 -34.49 46.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.541 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.25 -42.47 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.559 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -66.28 -14.24 61.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.628 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.37 -29.03 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 111.191 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.1 p -85.36 10.33 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.6 146.23 18.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.626 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -93.15 -48.41 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.611 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.4 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.296 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -132.26 131.84 42.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.14 107.33 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.616 HD23 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.72 129.11 34.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG12 HG11 ' A' ' 126' ' ' VAL . 21.9 t -135.88 119.29 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.737 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.678 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -132.54 155.8 47.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.946 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -97.52 151.4 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.473 HD11 ' HE ' ' A' ' 136' ' ' ARG . 21.8 pt -78.38 -37.5 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.0 p -60.49 -28.2 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.547 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.68 99.48 8.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -63.02 -17.05 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.93 -26.65 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.0 p -69.79 -51.6 32.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.75 -36.4 67.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.276 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.1 p -72.9 -54.03 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.863 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.414 ' HB1' ' OG ' ' A' ' 22' ' ' SER . . . -60.82 -35.28 76.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.678 HG21 ' HB3' ' A' ' 93' ' ' PHE . 3.6 p -59.58 -39.53 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.13 -27.7 63.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.826 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -72.78 -32.75 65.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.055 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.69 -25.1 53.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -51.57 -47.56 63.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.036 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.05 -28.22 67.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.1 -43.23 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.304 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.27 -26.28 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -51.51 -50.63 59.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 111.58 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 115' ' ' LYS . 12.2 m -73.37 -13.74 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.401 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.6 mmtt -120.17 40.87 3.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.98 3.34 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.506 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.05 -27.71 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.22 -178.83 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -128.48 -58.6 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -68.63 107.09 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.36 103.65 46.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.36 128.38 25.98 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.116 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -149.16 156.53 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.0 tp -162.09 133.24 5.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.269 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.497 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.6 p -108.23 143.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 111.837 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.484 HG11 HG12 ' A' ' 92' ' ' VAL . 7.2 p -147.3 147.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.84 128.51 9.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.106 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -99.09 -178.46 3.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.797 0.332 . . . . 0.0 110.315 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm 54.63 20.1 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -62.66 -11.68 18.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.19 -5.91 11.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.445 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 mt -117.66 78.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.72 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.3 -24.01 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -83.43 -6.49 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.1 mtt180 -124.98 12.89 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.427 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.473 ' HE ' HD11 ' A' ' 95' ' ' ILE . 45.6 ttm180 -75.67 108.31 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.483 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -80.97 -34.69 32.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.542 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -97.95 109.99 53.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.348 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.69 135.69 70.92 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.159 1.906 . . . . 0.0 111.542 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -55.04 -46.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.625 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -30.02 71.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.92 -31.36 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.39 51.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.478 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 81.7 mtt180 -66.43 -40.63 89.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.323 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -66.46 -52.42 46.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.548 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -46.46 88.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.21 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.47 -31.98 69.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.56 -29.36 16.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.46 31.83 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.073 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.13 -177.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 111.498 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -121.38 146.82 46.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.811 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HD1' HG22 ' A' ' 125' ' ' VAL . 45.2 t80 -112.91 135.99 53.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 0.0 111.777 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.26 155.17 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.218 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -88.85 150.56 22.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.508 HG21 ' HB3' ' A' ' 164' ' ' ASN . 16.8 p -151.75 169.19 22.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.21 0.529 . . . . 0.0 111.818 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.9 t -148.3 116.42 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.406 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.68 -5.46 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.546 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -94.69 -37.86 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 68.7 p -97.31 -11.73 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 35.25 38.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.56 5.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.168 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.508 ' HB3' HG21 ' A' ' 157' ' ' THR . 25.8 t-20 -104.28 1.12 30.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.633 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.439 HG21 HD11 ' A' ' 30' ' ' LEU . 12.6 p -56.59 -44.61 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.807 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.99 -20.57 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 13.6 tmtt? -60.48 -41.45 94.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.619 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 165' ' ' VAL . 27.2 m -72.9 -28.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.696 0.284 . . . . 0.0 111.437 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.9 -46.29 62.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.455 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -71.61 -40.19 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.601 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.42 -53.73 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.71 -33.79 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.9 ttm -55.89 -45.23 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.407 ' HG2' HD23 ' A' ' 57' ' ' LEU . 75.7 mtm180 -69.09 -34.36 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.729 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.87 -29.2 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.506 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 94.8 mt -72.8 -54.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.614 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.6 ptm180 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.829 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.4 m -88.21 -59.6 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -71.31 -54.33 11.19 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.4 tptt -60.38 -56.16 24.86 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.7 mmt -57.23 -17.4 11.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.241 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.967 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.642 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.733 0.302 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 160.24 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.36 112.52 15.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -107.25 117.67 34.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.45 130.66 44.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.351 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.61 108.13 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.083 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.601 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.1 tpt -64.34 94.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 21' ' ' GLY . 13.6 p -115.76 159.0 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 160.43 85.98 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.609 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.496 ' HB2' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.79 -84.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.51 -62.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.92 55.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -101.79 -65.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.65 33.84 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 5.6 ptpp? -50.71 -40.45 54.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.181 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.2 p -62.1 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.85 -51.72 63.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.596 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 165' ' ' VAL . 2.2 mm? -61.67 -25.49 67.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 66' ' ' ILE . 52.7 m -69.84 -46.01 66.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.488 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.04 -33.37 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.824 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' HB2' HG23 ' A' ' 165' ' ' VAL . 13.4 mm100 -69.16 -33.54 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.572 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -73.06 -46.13 53.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.411 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 29.9 ttm -82.45 -50.05 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.62 -23.73 17.5 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 58.04 42.12 23.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 109.94 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.15 127.54 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.881 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -72.14 105.84 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.743 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 42' ' ' ASP . 48.7 t -131.01 144.24 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.191 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.84 -31.6 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.469 ' H ' HG12 ' A' ' 40' ' ' VAL . 13.5 m-20 -60.24 161.01 7.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -158.53 -178.07 7.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.43 126.39 11.65 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.72 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -57.5 141.18 95.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.461 2.108 . . . . 0.0 112.598 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -126.58 131.8 51.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -126.42 -34.08 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.37 -14.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.14 127.53 33.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.496 ' HB3' HD21 ' A' ' 67' ' ' LEU . 79.1 p -118.09 174.25 6.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -111.41 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.744 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -151.17 139.26 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -155.83 154.14 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -100.21 122.64 43.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.08 137.8 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -70.28 138.8 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 HD12 HH11 ' A' ' 177' ' ' ARG . 0.1 OUTLIER -131.92 103.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 54.01 31.28 13.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.05 -39.1 3.01 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.85 115.97 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 111.209 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.2 tt0 -75.58 119.35 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.839 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.7 146.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 148.24 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -127.55 133.32 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.04 115.6 29.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.775 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 HG22 ' A' ' 31' ' ' THR . 23.3 mm -95.87 124.92 48.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD21 ' HB3' ' A' ' 50' ' ' SER . 1.2 tm? -121.83 103.73 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.645 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.63 136.62 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.9 m -146.37 149.0 32.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -178.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.354 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.816 179.436 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.045 0.45 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.36 -44.42 96.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.918 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.62 -30.96 71.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.8 -34.37 27.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -65.83 -43.54 88.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.528 ' HB3' HG23 ' A' ' 114' ' ' VAL . 40.3 m-85 -68.25 -23.83 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.418 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -87.68 13.77 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.333 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.34 148.0 18.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.668 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.34 -10.83 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.675 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -142.88 166.41 26.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -135.61 136.42 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.684 0.278 . . . . 0.0 111.025 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -131.55 103.54 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.618 HD22 ' HB ' ' A' ' 104' ' ' THR . 12.8 tp -82.97 129.22 35.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 126' ' ' VAL . 19.4 t -134.14 121.72 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.598 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.564 ' HB3' HG21 ' A' ' 104' ' ' THR . 5.3 p90 -131.3 153.87 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.942 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.5 t -94.58 145.63 24.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 HD13 ' HE ' ' A' ' 136' ' ' ARG . 27.7 pt -77.23 -34.51 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.964 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.6 p -62.17 -25.8 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -117.03 102.88 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -62.99 -16.2 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HA ' ' HG1' ' A' ' 102' ' ' THR . 41.5 mt-10 -71.47 -26.55 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m -66.03 -53.76 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.145 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.36 -36.29 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.427 ' HG1' ' HA ' ' A' ' 99' ' ' GLU . 58.1 p -72.43 -53.34 12.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.775 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.618 ' HB ' HD22 ' A' ' 91' ' ' LEU . 7.1 p -60.16 -31.37 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.284 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 43.6 mt-10 -62.16 -44.55 96.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.47 -25.2 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -50.75 -53.24 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.07 -36.81 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.127 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.6 mm-40 -58.5 -29.17 66.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.78 -36.5 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.633 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -68.05 -26.58 65.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.3 mmp_? -67.84 -50.86 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.314 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' A' ' 83' ' ' PHE . 3.2 m -61.62 -22.35 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 110.657 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -123.2 60.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.008 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.73 -36.78 26.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.665 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -52.96 -46.53 68.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.91 0.386 . . . . 0.0 110.261 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 119' ' ' ASP . 6.8 tt0 55.78 -131.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.406 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 118' ' ' GLU . 33.9 m-20 77.94 -45.84 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.886 0.474 . . . . 0.0 110.064 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -148.44 81.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.528 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.3 mm -86.85 109.53 25.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 63.7 Cg_endo -72.1 103.11 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.248 1.965 . . . . 0.0 111.921 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.9 tp -133.4 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 tp -158.37 122.68 4.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.143 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 154' ' ' TYR . 4.0 p -100.09 143.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.587 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 92' ' ' VAL . 10.0 p -145.66 154.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.59 139.81 15.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.926 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.35 -175.17 2.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.95 19.96 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.421 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.6 t -57.56 -19.93 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.067 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.17 -8.36 12.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.5 HD11 ' HD2' ' A' ' 135' ' ' ARG . 39.8 mt -119.0 87.62 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.39 -40.81 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.234 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.4 -26.27 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.5 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.8 mtt180 -96.78 10.27 39.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.496 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HE ' HD13 ' A' ' 95' ' ' ILE . 41.7 ttm180 -79.56 108.99 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 110.28 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.87 -26.86 21.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.492 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.1 102.54 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.41 134.44 61.37 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.097 1.865 . . . . 0.0 111.319 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.96 -46.66 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.554 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.8 pt-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.359 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.2 tt0 -68.98 -41.25 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.721 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.74 70.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.4 mtt180 -70.2 -40.55 74.51 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.313 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -60.98 -48.18 83.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.631 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.419 ' HZ2' ' HE1' ' A' ' 150' ' ' TRP . 0.1 OUTLIER -69.77 -47.99 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.283 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.017 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.41 -32.37 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -54.17 -46.88 72.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.419 ' HE1' ' HZ2' ' A' ' 146' ' ' LYS . 7.7 m0 -66.96 -19.62 65.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.58 29.52 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.44 160.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 111.74 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -104.62 131.83 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.462 ' HA ' HG11 ' A' ' 125' ' ' VAL . 34.4 t80 -97.48 141.49 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.085 0.469 . . . . 0.0 111.776 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.71 151.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.053 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.25 143.81 26.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.553 HG21 ' HB2' ' A' ' 164' ' ' ASN . 45.1 p -150.14 159.3 44.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.136 0.493 . . . . 0.0 111.791 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 61.6 m -122.78 111.48 16.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.337 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.7 -2.33 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.6 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -96.98 -48.35 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.768 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 63.6 p -83.47 -5.28 59.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.451 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.31 39.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.86 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.673 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.553 ' HB2' HG21 ' A' ' 157' ' ' THR . 2.8 m-20 -112.11 17.18 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.343 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.514 ' O ' HG21 ' A' ' 168' ' ' VAL . 7.4 p -62.91 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -74.0 -16.24 61.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 111.105 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -61.67 -31.45 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.793 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 165' ' ' VAL . 26.0 m -80.63 -26.73 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.663 0.268 . . . . 0.0 111.483 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -71.56 -44.44 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.812 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -71.84 -47.01 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.94 -45.79 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.91 -37.04 78.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 3.2 ttp -60.21 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.256 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.19 -36.95 78.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.55 -46.72 86.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 59.7 mt -58.04 -32.21 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 110.765 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.484 HH11 HD12 ' A' ' 57' ' ' LEU . 79.6 mtp180 -73.97 -54.32 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.443 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 55.3 m -88.65 -59.72 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -55.9 -54.33 45.96 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.5 tttm -64.38 -57.71 8.55 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 57.7 mtt -58.13 -18.27 24.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.687 0.279 . . . . 0.0 111.253 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.611 ' H2 ' HD11 ' A' ' 12' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.681 0.277 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 97.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 111.103 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.554 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 1.3 tt -80.6 102.96 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.13 121.78 43.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 57.5 mttp -104.43 117.74 34.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.3 134.29 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.4 HD12 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.92 126.99 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.191 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.539 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 4.2 mmt -75.29 98.2 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -107.14 153.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.437 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.511 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 177.77 -159.91 26.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.047 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -59.84 -53.48 57.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.028 0.442 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.21 29.75 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.294 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.52 68.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.745 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.63 -22.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.309 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.96 53.52 0.44 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 50.5 mttm -59.95 -50.59 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' THR . 61.5 p -51.76 -29.42 18.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.285 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.63 -52.81 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.984 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 92' ' ' VAL . 1.4 mm? -61.26 -24.56 66.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.8 m -73.04 -41.11 64.53 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.18 72.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.292 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.8 mm100 -64.35 -37.91 89.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.353 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.55 -26.59 61.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.753 0.311 . . . . 0.0 111.197 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.6 -49.51 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -121.31 -11.81 8.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 61.78 36.94 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 0.0 110.57 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.46 140.47 51.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -95.8 105.39 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.606 HG11 ' H ' ' A' ' 42' ' ' ASP . 17.6 t -127.16 143.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.08 -27.15 62.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.606 ' H ' HG11 ' A' ' 40' ' ' VAL . 24.3 t70 -62.83 148.33 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -134.1 -172.78 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -151.6 107.66 2.91 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.66 142.4 50.3 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.461 2.107 . . . . 0.0 112.467 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -114.11 141.97 46.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -135.59 -32.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.66 -13.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.79 136.31 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -126.32 168.4 14.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 21.7 m-85 -102.0 148.79 24.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.224 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.29 141.16 28.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.29 172.86 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.341 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -127.55 127.0 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.067 0.46 . . . . 0.0 111.742 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.54 153.09 32.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.581 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.7 131.14 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.348 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.515 HD11 ' HE2' ' A' ' 173' ' ' MET . 26.4 mt -120.21 95.14 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.743 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 54.15 30.83 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 39.22 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.645 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -153.0 113.83 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -82.91 129.74 35.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.78 177.9 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.554 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt-30 -119.71 119.09 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.806 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.5 tt -107.88 133.03 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.545 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -119.87 119.7 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.618 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.85 128.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 tt -132.41 109.48 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.524 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.539 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 6.4 p-10 -80.75 120.6 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.9 p -83.58 -10.29 58.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 -169.49 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.097 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.944 0.402 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -53.52 -39.52 64.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -58.78 -34.84 71.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -57.13 -45.3 83.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.09 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.54 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB2' HG11 ' A' ' 114' ' ' VAL . 31.2 m-85 -66.49 -21.83 66.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.513 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -83.31 -3.27 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -100.61 10.54 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.4 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -140.52 176.18 21.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.594 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 20.9 mm-40 -109.46 -54.35 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.86 165.14 33.07 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.669 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -135.53 139.82 44.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.721 0.295 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.56 HD23 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -131.04 107.73 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.762 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.608 HD22 ' HB ' ' A' ' 104' ' ' THR . 16.3 tp -82.51 129.11 34.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.484 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 30' ' ' LEU . 21.5 t -129.97 134.43 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.627 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -147.59 154.64 40.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.621 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -94.09 144.47 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.768 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 96' ' ' THR . 3.6 pt -73.52 -42.86 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.5 t -65.9 -11.95 50.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.488 ' HG2' HG23 ' A' ' 96' ' ' THR . 10.0 mm-40 -116.96 95.94 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.12 -18.31 63.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.8 m -68.95 -54.07 17.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.856 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' HA ' ' HG1' ' A' ' 104' ' ' THR . 16.8 t80 -57.71 -34.66 69.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.614 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -72.64 -53.84 10.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.4 77.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 93' ' ' PHE . 7.4 p -58.49 -39.6 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.44 -34.28 66.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.457 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.76 -44.39 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -60.76 -26.4 67.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.268 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.7 -45.12 70.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.52 -26.79 63.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 65.9 mm-40 -74.21 -26.44 60.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.03 0.443 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.33 -38.41 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -67.63 -26.44 66.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.773 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.475 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 19.0 mmm180 -55.43 -50.53 69.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.529 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.2 m -71.73 -11.54 15.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.958 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -131.79 69.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.89 -23.05 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.174 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.39 -37.89 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.23 132.06 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.733 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.09 -43.99 14.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.755 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.512 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 27.7 mmmt -95.25 120.11 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.361 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.2 mm -114.84 104.95 53.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HG2' ' HE2' ' A' ' 180' ' ' LYS . 24.2 Cg_exo -63.7 130.51 28.17 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.439 2.093 . . . . 0.0 112.027 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.16 152.67 33.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.8 tp -158.22 120.96 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.305 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 154' ' ' TYR . 2.6 p -92.8 143.53 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.405 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 168' ' ' VAL . 2.5 p -142.02 154.14 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.99 115.54 2.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.894 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -90.33 -177.32 5.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 3.2 tppp? 57.21 17.36 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.5 t -63.36 -10.47 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.113 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.8 -15.08 57.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.508 HD13 ' HD2' ' A' ' 135' ' ' ARG . 79.7 mt -104.14 84.08 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.5 -11.18 60.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.85 -28.07 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.7 mtt180 -99.0 -2.35 37.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.291 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.4 ttm180 -67.28 107.87 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 0.0 110.419 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -96.77 -17.16 20.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.0 99.88 41.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.17 142.59 55.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.346 2.031 . . . . 0.0 111.915 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -57.07 -45.88 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.3 -49.71 73.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.231 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.13 -28.34 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.94 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.5 mtt180 -77.39 -36.64 53.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.2 t -60.13 -51.06 71.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.358 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.25 74.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.23 68.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.2 -32.46 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.96 -41.69 62.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.53 -26.72 61.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.04 30.14 3.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.86 170.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 111.435 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.34 135.11 54.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.726 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.498 ' HB2' HG12 ' A' ' 125' ' ' VAL . 36.7 t80 -97.96 146.22 25.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 111.717 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.89 154.3 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -89.4 138.41 31.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.8 p -148.01 156.87 43.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.061 0.457 . . . . 0.0 111.821 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.48 ' HB2' HG21 ' A' ' 161' ' ' THR . 68.8 m -136.75 109.04 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.497 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.58 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.755 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.48 -54.9 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.48 HG21 ' HB2' ' A' ' 158' ' ' SER . 9.6 t -87.37 -1.67 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.441 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.8 ppt_? 34.81 40.03 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.977 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.1 -55.43 5.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.112 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.27 11.29 21.71 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 168' ' ' VAL . 7.7 p -60.44 -42.51 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.63 -15.0 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -61.51 -37.37 83.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.262 -179.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.56 HG23 HD23 ' A' ' 90' ' ' LEU . 10.4 p -76.49 -27.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -72.52 -46.69 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.29 -46.78 60.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.201 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -50.49 72.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.5 tp -60.46 -46.77 88.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.515 ' HE2' HD11 ' A' ' 57' ' ' LEU . 25.1 ttp -54.46 -42.02 70.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.54 -34.13 73.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.09 -26.32 67.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 82.7 mt -72.57 -54.16 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 111.378 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 17.3 ptm180 -60.8 -29.7 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.616 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -87.23 -58.31 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.512 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 52.0 tttp -69.6 -53.33 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.513 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.1 ttmm -62.87 -55.98 21.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -62.16 -13.86 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.043 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.5 172.41 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -139.06 106.95 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -104.33 152.74 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 93.8 mttt -129.9 104.29 7.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.68 137.75 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -107.63 134.51 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.311 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -85.34 96.08 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.122 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -104.76 157.18 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.958 0.409 . . . . 0.0 111.302 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.79 -163.81 28.58 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.194 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HB3' HG23 ' A' ' 104' ' ' THR . 71.5 p -66.2 -49.32 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.67 -13.46 0.78 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.112 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.4 68.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.56 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.5 t -121.33 -57.56 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.599 0.238 . . . . 0.0 111.168 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.19 39.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 19' ' ' MET . 33.8 mtmm -53.78 -37.25 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.036 0.446 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 31' ' ' THR . 79.1 p -73.33 -29.88 62.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.779 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.2 -53.02 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.986 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 HD11 HG22 ' A' ' 165' ' ' VAL . 2.7 mm? -60.73 -25.09 66.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.0 m -74.25 -39.92 62.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.636 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.25 -31.16 67.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.043 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -71.47 -38.37 71.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.197 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -73.22 -44.34 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.849 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.6 mmm -82.3 -49.79 9.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -94.6 -19.57 20.35 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.7 m-20 57.99 42.79 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -154.59 150.04 27.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.853 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.7 110.47 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.06 151.56 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.22 -77.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.039 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -176.07 104.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -171.19 100.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -155.02 80.79 4.31 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.28 119.61 6.4 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.653 2.235 . . . . 0.0 111.824 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -81.16 100.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.142 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -90.9 30.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.624 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.89 9.76 5.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.98 136.92 38.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.4 p -104.12 162.41 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -99.24 150.34 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -142.85 137.35 29.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.937 0.399 . . . . 0.0 110.989 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -158.23 155.53 29.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -103.29 122.28 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.361 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 148.03 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.2 p -89.3 130.03 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 111.246 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 HH11 ' A' ' 177' ' ' ARG . 55.9 tp -130.12 109.23 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.427 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 59.78 31.31 20.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.85 29.56 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.659 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -96.25 113.88 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.984 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.0 tt0 -76.35 126.15 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.36 170.59 19.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.79 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -108.05 150.25 27.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.39 134.89 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.514 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 21.9 t70 -116.72 113.66 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.83 123.66 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -126.43 116.62 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.289 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.82 135.77 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.1 p -102.78 -28.01 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.48 -171.11 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.14 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.552 ' HA ' HD21 ' A' ' 81' ' ' ASN . 55.5 mt . . . . . 0 C--O 1.231 0.106 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -55.83 -33.73 64.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.08 -35.44 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.631 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.552 HD21 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m-80 -56.02 -34.5 65.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -65.66 -46.86 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -65.8 -17.5 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.382 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -82.03 -18.2 44.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.101 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 t -101.16 5.03 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.67 148.44 16.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -94.23 -45.64 7.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.576 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.476 ' HA3' HD12 ' A' ' 176' ' ' ILE . . . -93.87 160.06 24.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.124 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.54 133.59 32.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.33 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 124' ' ' LEU . 19.5 tp -125.09 106.68 10.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HB ' ' A' ' 104' ' ' THR . 9.6 tp -82.16 140.94 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.31 137.28 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.623 ' HB3' HG22 ' A' ' 104' ' ' THR . 16.4 p90 -156.74 160.09 38.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.708 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 67.3 m -93.81 126.89 39.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 pt -60.99 -29.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.437 HG21 ' HG3' ' A' ' 129' ' ' LYS . 6.0 t -81.45 -20.89 39.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -101.84 96.95 7.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.25 -17.69 62.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -74.15 -27.6 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 110.547 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -76.63 -53.61 7.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.599 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.87 -41.74 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.585 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -72.92 -53.98 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.166 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -33.76 69.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.627 ' HB ' HD23 ' A' ' 91' ' ' LEU . 11.6 p -65.8 -31.47 72.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.04 69.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.85 -42.96 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.01 -25.8 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.1 tmt_? -49.77 -45.89 50.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.561 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.42 -39.64 70.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.502 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 13.5 mm-40 -59.07 -30.53 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.12 -43.24 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -67.27 -26.29 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.825 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.502 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 25.1 mmt180 -53.55 -50.88 64.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.81 0.338 . . . . 0.0 111.817 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.578 HG21 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.35 -11.34 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.67 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.578 ' HG2' HG21 ' A' ' 114' ' ' VAL . 74.9 mmtt -123.23 58.99 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.94 -12.79 59.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.433 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.37 6.45 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 22.0 mm-40 -115.22 162.34 17.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.87 -57.44 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -74.08 106.65 5.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.53 104.22 54.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 18.3 Cg_exo -66.38 109.2 1.53 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.455 2.104 . . . . 0.0 112.098 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 124' ' ' LEU . 54.8 tp -132.84 157.62 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.445 ' H ' HD13 ' A' ' 123' ' ' LEU . 28.6 tp -158.17 115.59 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.149 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.517 HG22 HD21 ' A' ' 91' ' ' LEU . 2.4 p -89.09 136.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 111.168 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.452 HG12 HG11 ' A' ' 168' ' ' VAL . 21.2 t -140.55 153.79 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.79 132.66 6.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.769 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -162.74 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.491 ' HB3' HD12 ' A' ' 132' ' ' LEU . 36.0 mmtp 56.58 18.44 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.364 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.4 m -59.82 -17.06 33.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.29 12.97 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.656 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.0 mt -125.48 82.2 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.32 -21.42 60.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.468 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.58 -34.74 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.336 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.1 mtt180 -84.18 -1.78 55.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.087 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttm105 -61.29 107.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.99 -35.01 24.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.2 t -108.69 104.24 53.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.778 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.18 124.67 13.31 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 121.99 1.793 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.5 p -51.37 -44.09 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.305 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.0 pt-20 -54.8 -36.75 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.6 tt0 -75.13 -39.6 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.396 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.7 -28.6 69.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.818 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.4 mtt180 -67.96 -45.63 73.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.276 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -60.84 -46.37 90.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.493 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -65.65 -48.17 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.662 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 125' ' ' VAL . . . -52.6 -43.83 65.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.588 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.89 -31.8 63.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.63 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.28 -48.07 62.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.534 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 35.8 m0 -63.92 -21.52 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.51 14.73 24.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.076 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.09 -179.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 0.0 111.48 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.02 131.14 55.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.062 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.471 ' HD1' HG23 ' A' ' 125' ' ' VAL . 40.5 t80 -96.1 136.71 36.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 111.418 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 90.1 t -132.85 149.79 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.91 137.57 32.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.369 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.3 p -139.17 157.39 46.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.45 . . . . 0.0 111.382 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.421 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 49.1 m -127.0 109.5 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.9 -6.6 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -93.56 -51.05 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.421 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 34.5 p -84.73 -7.13 59.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.411 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.4 ppt_? 37.76 35.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.887 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -75.93 -55.97 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -106.71 12.25 29.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.54 HG22 HD11 ' A' ' 30' ' ' LEU . 10.0 p -65.37 -43.04 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.313 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.22 -25.42 60.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 111.263 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 171' ' ' ASP . 7.5 tmtm? -61.13 -32.29 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.068 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -74.7 -26.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -74.93 -45.67 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.778 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -71.87 -36.2 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.21 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 167' ' ' LYS . 13.6 t70 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.076 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.8 -32.4 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.3 ttm -55.72 -45.52 77.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.407 ' HG2' HD21 ' A' ' 57' ' ' LEU . 86.2 mtm180 -60.93 -34.73 75.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.81 -51.71 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 74.8 mt -57.59 -31.39 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.501 HH11 HD22 ' A' ' 57' ' ' LEU . 62.6 mtp180 -72.5 -59.89 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.644 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.0 m -87.19 -59.13 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -56.95 -54.28 48.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.2 tptt -62.98 -50.8 69.35 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -70.38 -12.33 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.718 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.6 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.667 0.27 . . . . 0.0 111.087 179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.85 131.32 34.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -105.67 112.08 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -104.01 154.02 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.66 145.16 47.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.57 121.54 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.58 105.72 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -65.14 98.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.49 160.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.432 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 172.79 -157.92 27.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.836 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -59.6 -56.07 26.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.0 0.428 . . . . 0.0 110.973 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.19 -7.69 1.19 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.42 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.53 64.71 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.078 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 93' ' ' PHE . 38.3 t -115.8 -50.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 111.463 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.01 42.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.213 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.3 OUTLIER -53.02 -49.68 65.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.393 . . . . 0.0 111.323 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.9 p -54.57 -30.13 53.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.586 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.96 -51.85 67.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 HG12 ' A' ' 92' ' ' VAL . 2.2 mm? -60.24 -25.23 65.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 28' ' ' SER . 31.6 m -74.04 -42.21 60.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.152 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.65 -32.13 70.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.742 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.5 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.9 mm100 -69.13 -37.64 78.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 111.17 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -73.63 -49.12 27.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.429 ' HE3' ' HB3' ' A' ' 51' ' ' TYR . 71.6 mtp -82.1 -50.02 9.53 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -104.51 -5.75 21.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 5.5 p-10 40.36 64.36 0.94 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.196 0.522 . . . . 0.0 110.977 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -159.79 128.86 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.754 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 70.1 t80 -80.08 109.07 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -107.48 150.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.05 -78.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.538 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.81 -153.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.324 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.2 t80 67.37 92.22 0.08 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -144.84 68.47 14.32 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.39 153.38 77.18 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.617 2.212 . . . . 0.0 112.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.4 m -126.75 103.15 7.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -91.07 28.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.54 12.84 5.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.427 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.25 128.34 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.762 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -87.22 170.0 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' HB3' ' HE3' ' A' ' 35' ' ' MET . 24.8 m-85 -111.91 166.45 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -144.72 146.85 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 6.1 ttpm? -166.48 138.24 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.645 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.43 114.9 27.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.04 142.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.9 p -83.26 142.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.3 109.45 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 t70 59.52 31.01 20.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.62 -18.98 56.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.753 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -104.35 116.13 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -87.05 120.84 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.8 149.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.47 131.1 35.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.67 135.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -126.06 113.62 17.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.4 mt -110.25 154.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.234 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.28 114.69 6.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.209 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.77 131.36 38.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.7 p -119.33 112.23 19.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.953 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -166.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.259 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.353 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.851 0.358 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.32 -35.64 72.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.22 -31.2 67.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -54.35 -44.68 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -57.67 -35.24 70.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.489 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.33 -24.13 37.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -81.66 -28.62 33.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.248 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -87.48 12.67 11.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.021 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.76 178.86 16.36 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -121.65 -50.95 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.41 154.69 19.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.35 133.37 38.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.985 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.8 mt -122.07 111.38 16.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.604 HD12 ' HB ' ' A' ' 104' ' ' THR . 7.4 tp -82.94 118.92 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG12 HD22 ' A' ' 30' ' ' LEU . 26.9 t -124.13 136.17 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.798 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.566 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -150.31 159.14 44.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.433 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.428 ' OG ' HG12 ' A' ' 25' ' ' VAL . 68.7 m -100.31 146.63 26.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.185 0.516 . . . . 0.0 111.586 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 129' ' ' LYS . 18.0 pt -76.21 -31.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.71 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.491 HG23 HD23 ' A' ' 132' ' ' LEU . 68.3 p -66.95 -28.97 68.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.79 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -111.43 97.34 6.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.67 -15.65 53.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.47 -26.71 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 79.8 p -70.57 -51.44 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.7 -36.16 61.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.656 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.2 p -72.67 -53.97 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.987 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.37 75.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.604 ' HB ' HD12 ' A' ' 91' ' ' LEU . 9.2 p -59.37 -31.76 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.81 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -67.92 -46.42 71.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' HA ' HE21 ' A' ' 110' ' ' GLN . 20.9 m-85 -62.07 -24.2 66.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -47.87 -53.57 15.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.21 -38.83 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.402 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.556 HE21 ' HA ' ' A' ' 107' ' ' PHE . 44.3 mt-30 -56.2 -36.72 68.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.171 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -43.01 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.93 -27.29 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.561 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -60.13 -50.61 73.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.83 -11.45 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 114' ' ' VAL . 73.8 mmtt -127.35 34.53 4.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.8 59.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.62 -39.47 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -87.91 133.7 33.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.47 -34.5 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.347 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -89.18 110.08 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mm -119.64 106.58 41.82 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.489 ' HA ' ' HZ2' ' A' ' 179' ' ' LYS . 21.2 Cg_endo -61.49 125.95 18.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.214 1.943 . . . . 0.0 112.009 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.0 tp -142.1 157.39 44.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 tp -161.77 132.69 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.112 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.478 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -108.84 143.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.987 0.423 . . . . 0.0 111.939 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.7 p -141.89 156.15 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.996 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.93 110.28 1.14 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.811 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 157' ' ' THR . 29.3 p-10 -86.0 -170.15 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 110.409 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.443 ' O ' HD12 ' A' ' 95' ' ' ILE . 25.9 mmmt 61.21 18.15 8.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -60.58 -19.94 59.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -10.61 41.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.046 0.45 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.491 HD23 HG23 ' A' ' 96' ' ' THR . 3.7 mp -108.48 91.25 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.666 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.88 -54.94 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -7.55 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.858 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HD3' HD22 ' A' ' 132' ' ' LEU . 65.0 mtp180 -118.58 22.61 11.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.689 0.281 . . . . 0.0 111.604 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 37.5 ttm180 -99.09 110.26 22.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.41 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -94.54 -23.99 17.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.435 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.47 100.48 14.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.87 140.72 81.31 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.076 1.85 . . . . 0.0 111.236 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.44 -43.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.375 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -53.83 -44.28 70.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.512 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.26 -29.2 47.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.342 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtm180 -77.53 -34.89 53.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.4 t -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.464 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -72.96 -45.31 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.839 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.86 96.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.17 -32.28 55.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.344 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.67 -41.91 64.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.761 0.315 . . . . 0.0 110.655 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.464 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 18.9 m0 -71.95 -20.64 61.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.97 38.11 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.759 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.22 -179.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 111.355 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -125.8 131.76 52.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.849 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.478 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.7 t80 -97.47 141.31 30.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.426 . . . . 0.0 111.31 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 154.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.25 141.8 28.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.289 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 164' ' ' ASN . 40.4 p -150.92 164.74 35.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 0.0 111.854 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 160' ' ' LYS . 34.8 t -138.91 112.09 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.294 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.99 0.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.465 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.465 ' H ' ' HG ' ' A' ' 158' ' ' SER . 88.1 tttt -97.17 -45.8 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.659 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 66.7 p -91.05 -6.0 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.027 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 34.82 42.85 0.08 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.77 -55.81 5.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.079 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.578 ' HB2' HG23 ' A' ' 157' ' ' THR . 66.9 m-20 -111.93 19.4 17.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.658 0.266 . . . . 0.0 111.475 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 33' ' ' GLN . 6.6 p -65.0 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.665 0.269 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -73.43 -14.68 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.82 -39.48 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 165' ' ' VAL . 30.9 m -74.25 -27.57 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.63 -45.95 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.379 . . . . 0.0 110.705 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.01 -33.51 68.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.078 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.14 -52.08 65.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 122' ' ' PRO . 64.6 tp -62.68 -33.72 75.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.4 ttm -57.28 -46.24 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.646 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -64.02 -34.22 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 16.1 mm-40 -62.12 -51.64 67.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.625 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.534 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.1 mt -58.18 -32.01 43.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 181' ' ' MET . 79.3 mtp180 -70.18 -58.07 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.644 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.2 m -87.92 -59.25 2.29 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.489 ' HZ2' ' HA ' ' A' ' 122' ' ' PRO . 81.6 tttt -58.1 -54.29 48.62 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 24.4 tptm -63.94 -47.72 79.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -68.19 -13.7 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.789 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.95 21.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.98 124.76 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -116.47 116.85 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.8 mttt -96.2 113.54 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 129.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 mm -108.94 118.41 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.526 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 89.0 mmm -70.94 87.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.63 163.34 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.59 18.35 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.623 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.7 p -62.0 -45.5 93.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.95 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.13 -10.42 5.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.233 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.62 68.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.22 -71.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.14 57.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 27.9 mmtp -57.91 -47.99 81.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.142 0.496 . . . . 0.0 111.07 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' A' ' 31' ' ' THR . 12.3 p -53.74 -29.46 39.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.622 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.26 -52.78 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.008 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD21 HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -65.38 -24.78 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 28' ' ' SER . 37.4 m -68.8 -41.43 78.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.373 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.25 -42.43 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.758 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.3 mm100 -65.95 -26.77 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.35 -51.42 17.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.611 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 52.7 ttm -82.2 -49.8 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.57 -20.52 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.6 m-20 53.48 31.99 13.26 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.583 ' HA ' HH11 ' A' ' 162' ' ' ARG . 10.3 tp10 -152.57 133.52 14.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.825 -178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' HE22 ' A' ' 33' ' ' GLN . 61.3 t80 -86.65 110.25 19.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.87 145.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.31 109.31 9.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -162.99 147.79 11.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.918 0.389 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -121.66 125.89 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.498 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -121.55 104.32 40.03 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.58 140.86 83.68 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 112.095 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.3 m -76.84 107.9 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.11 43.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.96 16.91 8.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.541 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -101.11 126.27 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -109.43 155.54 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 40.9 m-85 -93.93 155.9 16.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.146 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -146.24 133.81 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.675 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.51 146.02 22.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -91.77 122.18 34.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -139.06 137.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.3 p -66.51 142.71 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -137.33 99.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.22 31.28 18.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.39 -43.29 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.839 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.18 117.96 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 111.165 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -73.65 121.98 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.98 147.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.82 166.0 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tt -142.6 122.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.6 t70 -98.27 113.53 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 84.1 mt -107.65 126.73 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.276 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -137.08 104.15 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.197 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.72 113.26 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.7 m -93.71 109.54 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -175.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 179.854 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 C--O 1.231 0.128 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -59.51 -29.2 67.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.914 0.388 . . . . 0.0 110.652 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.99 -36.46 79.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.65 -34.55 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.552 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -64.45 -32.39 74.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.706 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -76.13 -15.24 60.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.37 -39.83 18.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -62.18 -23.04 66.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.13 155.23 16.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.7 -51.07 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.58 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.4 156.93 23.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.672 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' HZ ' ' HZ1' ' A' ' 115' ' ' LYS . 20.8 m-85 -128.73 141.25 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 110.677 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -126.26 108.77 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.577 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.77 113.99 20.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.564 HG13 HG11 ' A' ' 126' ' ' VAL . 3.8 t -123.36 124.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.4 p90 -136.9 168.85 18.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.554 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -112.56 147.74 35.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 96' ' ' THR . 30.7 pt -77.43 -37.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 0.0 110.767 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 95' ' ' ILE . 23.2 p -60.95 -14.29 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.51 98.98 5.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -62.95 -16.29 58.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.55 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.27 -26.62 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.248 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.1 p -70.09 -53.62 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.778 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.7 -34.31 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.878 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.6 -54.05 10.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.299 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.612 HG21 ' HB3' ' A' ' 93' ' ' PHE . 4.1 p -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.086 0.469 . . . . 0.0 110.636 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.44 72.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.978 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.54 -43.23 77.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.54 -24.66 65.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.175 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.43 -43.28 34.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.01 -37.37 72.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.435 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 43.3 mm-40 -64.01 -27.35 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.31 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.68 -26.33 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.6 mmm180 -50.5 -50.67 52.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -65.72 -33.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 24.4 mmtm -104.55 53.12 0.74 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.446 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.58 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.14 -40.53 96.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 63.64 158.39 0.08 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.61 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.2 t70 179.71 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.766 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.423 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 74.7 mmtt -145.35 85.71 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.862 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.98 109.14 22.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.66 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.58 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.7 Cg_endo -84.02 132.67 5.49 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.519 2.146 . . . . 0.0 111.667 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.0 tp -146.61 156.88 43.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 111.281 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -155.87 128.63 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.211 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 154' ' ' TYR . 2.4 p -100.02 143.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.037 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.564 HG11 HG13 ' A' ' 92' ' ' VAL . 7.6 p -151.05 147.61 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -121.88 107.47 1.19 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.944 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -82.5 -176.25 6.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.992 0.425 . . . . 0.0 110.606 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? 55.44 24.56 6.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.945 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.9 m -70.36 2.64 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.128 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.66 -20.84 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.4 86.54 3.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 111.015 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.13 -26.16 61.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -88.64 -15.5 34.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 97.5 mtt180 -110.59 13.29 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.444 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.9 ttm180 -77.24 112.25 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.95 -31.44 25.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.81 107.38 48.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.361 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.87 136.17 74.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.131 1.888 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -55.61 -47.08 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.396 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.38 -41.55 97.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.31 -35.48 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.57 67.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.2 mtt180 -64.16 -38.63 91.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.26 -51.74 54.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.11 88.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.71 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.03 -32.1 53.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -53.13 -36.47 60.84 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -74.39 -27.73 60.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.2 31.87 3.42 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.148 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.3 -175.4 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.32 135.36 51.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.76 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.572 ' HB2' HG12 ' A' ' 125' ' ' VAL . 40.2 t80 -100.9 143.9 30.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.124 0.487 . . . . 0.0 111.848 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.39 148.98 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.826 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.17 139.22 30.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 164' ' ' ASN . 66.6 p -143.79 164.93 29.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.0 111.663 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.423 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 69.4 m -140.46 109.95 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.61 -9.78 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.373 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -90.7 -36.19 14.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.423 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 49.1 p -86.4 -20.25 28.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.583 HH11 ' HA ' ' A' ' 38' ' ' GLU . 6.4 mtm180 51.06 28.51 3.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.484 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.28 -56.62 4.31 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.408 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.17 15.9 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.449 ' O ' HG21 ' A' ' 168' ' ' VAL . 7.0 p -65.78 -40.4 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.451 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.13 -22.9 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -57.34 -43.95 83.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.199 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 165' ' ' VAL . 29.0 m -69.11 -27.01 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.78 -48.44 25.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -72.17 -47.96 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.09 -45.76 79.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.422 HD21 ' HG ' ' A' ' 90' ' ' LEU . 60.3 tp -65.18 -32.76 74.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.74 -39.62 92.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -69.25 -35.9 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.834 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.14 -32.66 70.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.623 HG23 ' HD3' ' A' ' 180' ' ' LYS . 93.3 mt -72.89 -55.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.652 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.457 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.91 -24.39 66.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.863 -179.06 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.5 m -89.86 -59.41 2.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 50.1 tttp -70.66 -54.68 10.97 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.623 ' HD3' HG23 ' A' ' 176' ' ' ILE . 27.5 mtpp -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.457 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 41.0 mtt -70.21 -13.17 62.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.261 . . . . 0.0 111.144 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.973 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.543 HD13 ' H2 ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.831 0.348 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' H ' HG13 ' A' ' 62' ' ' VAL . . . -98.2 166.68 11.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.29 110.7 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.12 135.2 46.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 98.8 mttt -98.53 146.64 25.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.508 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -135.31 117.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.839 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD13 ' HA3' ' A' ' 86' ' ' GLY . 26.5 mm -100.88 105.83 18.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.5 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.8 tpt -70.5 89.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.183 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 91' ' ' LEU . 9.8 p -101.52 162.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' HG21 ' A' ' 20' ' ' VAL . . . -179.04 -161.33 26.45 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HB3' HG23 ' A' ' 25' ' ' VAL . 31.0 t -59.71 -48.21 82.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.08 -28.93 0.52 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.8 38.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.615 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 22' ' ' SER . 71.8 t -78.72 -73.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 0.0 111.333 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.83 24.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 21.7 pttm -47.11 -45.36 22.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 111.217 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -65.56 -30.61 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.23 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.01 -52.55 59.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.91 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 165' ' ' VAL . 2.3 mm? -61.0 -24.84 66.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.3 m -70.5 -45.65 65.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.581 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.98 -41.57 70.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.644 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HB2' HG23 ' A' ' 165' ' ' VAL . 15.3 mm100 -56.79 -36.76 70.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.81 -25.64 61.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.847 0.356 . . . . 0.0 111.174 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -82.41 -49.26 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -115.5 -13.43 11.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.2 m-20 61.18 31.64 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.99 129.42 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.31 105.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -134.47 139.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.62 99.77 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -172.74 146.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -159.25 150.95 20.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.901 0.382 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -138.99 133.39 16.36 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.79 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.53 143.45 94.55 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.438 2.092 . . . . 0.0 112.258 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -83.73 151.08 25.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 47' ' ' LYS . 8.8 mtpm? -142.22 68.42 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.0 16.14 3.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.366 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -117.67 134.8 54.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.3 m -119.97 176.59 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.64 153.41 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -147.14 130.31 16.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -160.12 143.69 14.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -82.55 130.26 35.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.66 150.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.51 127.43 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD21 HH11 ' A' ' 177' ' ' ARG . 63.1 tp -130.38 95.2 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 57.44 31.17 19.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.626 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.44 -32.82 7.11 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.661 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.38 120.54 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.55 120.12 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.8 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.448 HG13 ' H ' ' A' ' 13' ' ' ALA . 26.8 m -133.51 146.58 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.5 144.81 27.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.08 146.04 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.94 113.64 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.713 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.508 HG12 ' HB ' ' A' ' 17' ' ' VAL . 80.2 mt -121.98 140.45 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -112.42 134.29 54.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.07 92.44 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.8 p -86.19 177.31 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.05 -177.54 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA2' HH22 ' A' ' 79' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.605 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.487 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 32.4 mm . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.406 HH22 ' HA2' ' A' ' 71' ' ' GLY . 38.0 mmt180 -56.04 -53.76 53.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.319 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 90.2 m-20 -59.38 -34.73 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.416 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -76.9 -29.38 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.515 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -83.02 -15.8 49.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.346 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.74 -33.45 31.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.305 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.1 m -92.73 13.97 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.211 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.441 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -122.44 161.11 16.75 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.696 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.528 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 16.2 mm-40 -110.58 -55.52 2.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.828 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.9 155.52 24.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.84 131.26 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.47 106.52 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.642 HD21 ' HB ' ' A' ' 104' ' ' THR . 14.8 tp -82.62 133.36 35.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.43 130.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HB3' HG23 ' A' ' 104' ' ' THR . 35.5 p90 -141.43 141.43 33.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.636 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 p -85.4 139.99 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.439 HD11 ' O ' ' A' ' 129' ' ' LYS . 29.8 pt -76.82 -30.47 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.917 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.9 p -67.3 -17.26 64.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -126.45 107.15 10.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -62.83 -16.1 57.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.386 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.77 -26.75 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 0.0 110.612 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.2 m -68.15 -53.78 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.4 -35.41 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.908 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.0 p -72.49 -54.39 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.209 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.42 ' HB1' ' OG ' ' A' ' 22' ' ' SER . . . -60.94 -40.63 94.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.642 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.3 p -55.68 -45.5 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 110.404 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.48 67.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.739 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.76 -29.23 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.919 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.61 -24.56 53.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.532 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -48.37 -41.08 27.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.99 -35.31 74.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -63.02 -40.53 98.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.402 HD13 HG13 ' A' ' 20' ' ' VAL . 93.4 mt -59.93 -41.7 86.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.436 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.04 -26.27 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -50.43 -51.32 47.64 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.716 0.293 . . . . 0.0 111.753 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -66.98 -36.75 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 111.314 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 76.0 mmtt -99.07 37.65 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.17 -19.7 65.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.234 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -106.64 2.47 25.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 32.1 tt0 -110.53 146.3 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.9 -66.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.277 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.31 121.79 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.096 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.9 mm -130.28 103.88 16.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HD3' ' HD3' ' A' ' 180' ' ' LYS . 45.8 Cg_endo -68.26 96.3 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.285 1.99 . . . . 0.0 112.241 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.2 tp -119.19 157.54 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.3 tp -163.91 117.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.456 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -90.24 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 168' ' ' VAL . 9.6 t -133.8 149.78 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.36 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.15 139.19 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.663 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -108.09 171.84 7.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.6 mmtp 61.44 18.65 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.156 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -59.39 -18.34 38.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.06 -4.13 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 110.597 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.493 HD13 ' HD3' ' A' ' 135' ' ' ARG . 54.4 mt -120.42 85.66 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.646 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.411 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 36.1 mt-10 -73.06 -31.25 64.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.45 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -78.16 -20.06 52.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.314 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.493 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.3 mtp180 -104.83 17.15 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.39 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 136' ' ' ARG . 42.4 ttm105 -83.52 112.31 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -89.63 -27.44 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.1 104.97 32.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.76 128.95 32.46 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.17 1.914 . . . . 0.0 111.353 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 8.5 p -52.67 -44.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.271 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.63 -46.96 77.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.46 -31.56 72.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.718 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.44 -28.54 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.926 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.7 mtm180 -74.78 -41.85 59.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -63.55 -36.6 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.303 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.514 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -76.83 -48.91 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.465 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.67 73.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.35 -32.2 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.2 -45.34 61.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.732 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.514 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 31.0 m0 -68.07 -23.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.35 18.45 11.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.973 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.15 174.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.369 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -116.96 128.06 54.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.565 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.456 ' HD1' HG23 ' A' ' 125' ' ' VAL . 21.1 t80 -95.06 141.11 29.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 111.37 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.79 149.33 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.42 ' HG2' ' HH ' ' A' ' 154' ' ' TYR . 33.4 mt-10 -89.94 138.95 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.086 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -145.32 152.22 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.824 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -116.66 109.53 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.38 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.23 -1.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.955 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -99.55 -42.63 6.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.686 0.279 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 82.3 p -92.2 -2.35 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.455 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 32.95 43.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.607 0.567 . . . . 0.0 112.053 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.79 -55.79 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.516 HD21 ' HZ2' ' A' ' 167' ' ' LYS . 3.9 m-20 -111.91 15.74 20.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.65 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.8 p -64.72 -48.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.69 -24.2 59.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.699 0.285 . . . . 0.0 111.336 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.516 ' HZ2' HD21 ' A' ' 164' ' ' ASN . 6.0 tmmm? -57.27 -41.52 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.829 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 165' ' ' VAL . 35.3 m -71.94 -26.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.688 0.28 . . . . 0.0 111.397 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -69.91 -44.41 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -72.11 -30.22 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -52.83 63.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.59 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 122' ' ' PRO . 44.9 tp -66.5 -31.32 71.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.89 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.1 tpp -53.16 -45.09 68.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.004 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -69.27 -34.0 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.05 -48.96 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.436 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.8 mt -58.11 -32.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.597 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.481 HH11 HD21 ' A' ' 57' ' ' LEU . 27.6 mtp180 -75.87 -51.98 11.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.5 m -87.95 -59.34 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.63 -54.39 40.28 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.8 tptm -60.55 -48.82 80.09 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.2 mmt -71.86 -12.61 61.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.644 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.451 179.697 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.561 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.28 152.29 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 tp -129.91 107.02 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.714 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -104.19 132.94 49.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -111.15 112.26 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -104.48 134.6 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.3 mm -112.54 111.98 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.556 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 93.3 mmm -62.62 97.73 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.327 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 21' ' ' GLY . 9.4 p -103.67 164.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 178.03 -158.57 23.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.628 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.83 -51.12 61.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.05 -10.81 1.6 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.385 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.72 64.78 0.32 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.501 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 93' ' ' PHE . 61.9 t -126.57 -45.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.88 41.85 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.628 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.5 mtmt -54.36 -28.36 42.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.641 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.54 ' O ' ' HB ' ' A' ' 31' ' ' THR . 82.7 p -82.54 -28.32 31.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.49 -52.66 64.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.352 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 1.8 mm? -63.29 -24.96 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.5 m -66.72 -53.44 33.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.557 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.46 -40.88 85.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.578 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -72.77 -25.57 61.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.2 tpp -81.99 -49.79 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -111.41 -7.68 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.0 m-20 57.73 30.59 19.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.931 0.396 . . . . 0.0 110.604 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -148.42 137.84 22.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.728 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -77.18 106.03 8.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.821 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -129.09 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -82.85 101.98 11.33 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.68 143.44 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -155.64 138.86 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -146.82 109.56 4.07 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.64 142.44 95.74 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.373 2.048 . . . . 0.0 112.005 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -132.18 153.26 50.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -106.56 -28.84 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.02 -4.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.54 133.68 44.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.4 t -128.36 174.45 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 53.7 m-85 -106.85 145.66 31.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -142.76 142.08 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.103 0.478 . . . . 0.0 111.448 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -159.35 146.92 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.448 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.64 127.7 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.0 111.544 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -138.33 144.8 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.677 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.8 p -79.43 144.41 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.5 tp -136.98 100.82 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 31.32 16.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.75 -38.22 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.687 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.38 113.99 26.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.619 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 tt0 -71.39 114.89 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.25 140.56 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -80.7 129.86 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -107.77 133.44 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.8 t70 -118.01 119.5 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG21 HG23 ' A' ' 31' ' ' THR . 73.3 mt -107.79 115.93 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.408 . . . . 0.0 110.932 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tp -122.27 124.15 43.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.113 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.77 149.76 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -126.56 -85.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.64 -166.44 0.32 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.097 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.24 179.649 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.893 0.378 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -51.08 -40.02 57.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.03 -38.18 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.65 -39.6 81.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.321 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -76.35 -36.85 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.452 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -71.8 -16.58 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.91 -22.66 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -90.51 8.08 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.03 132.31 6.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.277 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.82 -51.5 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 111.061 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.49 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -95.3 164.21 24.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.676 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.2 141.65 44.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 124' ' ' LEU . 15.6 mt -124.64 103.99 8.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -82.31 127.6 33.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.88 136.33 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.119 0.485 . . . . 0.0 112.045 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.562 ' HA ' HG22 ' A' ' 25' ' ' VAL . 26.3 p90 -147.25 141.35 26.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.152 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -78.71 143.11 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 111.256 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.661 HG12 ' HB3' ' A' ' 129' ' ' LYS . 25.5 pt -73.65 -32.79 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.768 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.3 p -76.03 -0.49 21.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.666 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -131.56 93.86 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.28 -16.95 61.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -73.39 -26.48 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 110.252 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -69.48 -52.02 30.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.434 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -56.52 -35.87 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 0.0 111.528 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.6 p -71.98 -53.68 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.83 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.584 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.9 p -55.72 -31.87 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.86 -46.63 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -57.84 -33.53 68.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.212 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -51.59 -43.0 62.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.18 -38.01 72.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -62.45 -28.54 69.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.78 -36.17 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.38 -25.28 66.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.238 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -50.8 -51.04 54.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HG2' ' A' ' 115' ' ' LYS . 8.6 m -69.12 -12.99 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.61 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.621 ' HG2' HG22 ' A' ' 114' ' ' VAL . 71.7 mmtt -128.94 52.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -37.53 28.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.616 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.28 -51.23 69.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.414 . . . . 0.0 110.321 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 59.37 107.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -131.86 -47.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.597 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 34.2 mmtp -148.31 76.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.596 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.9 mm -77.29 114.46 40.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.992 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.47 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -88.09 126.27 2.0 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.783 2.322 . . . . 0.0 112.056 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 124' ' ' LEU . 67.6 tp -146.61 162.85 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.727 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.473 ' HB3' HD21 ' A' ' 90' ' ' LEU . 43.0 tp -161.43 113.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.072 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' A' ' 154' ' ' TYR . 5.3 p -84.17 143.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.205 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.526 HG13 HG11 ' A' ' 168' ' ' VAL . 13.2 t -148.91 153.15 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -130.02 127.46 5.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.003 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -96.56 -164.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.585 0.231 . . . . 0.0 110.456 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.661 ' HB3' HG12 ' A' ' 95' ' ' ILE . 9.6 tppt? 65.62 12.89 8.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.062 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.63 -14.86 9.34 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.54 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.37 -8.89 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.648 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.462 HD11 ' HD2' ' A' ' 135' ' ' ARG . 34.8 mt -121.21 74.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.62 -25.11 66.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -85.8 -6.34 59.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.462 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.3 mtt180 -118.15 8.16 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.432 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.467 HH22 ' HG2' ' A' ' 156' ' ' GLU . 12.0 ttm180 -73.29 108.16 6.01 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.485 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.18 -31.72 33.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.392 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.87 107.08 41.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.56 131.13 42.56 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.994 1.796 . . . . 0.0 111.33 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -49.2 -45.91 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.361 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.24 -49.47 71.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.17 -29.88 71.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.69 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 89.3 mtt180 -77.56 -38.12 49.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.503 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.5 -48.6 32.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.993 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.83 68.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.553 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.17 -32.18 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -51.99 -38.69 57.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -71.92 -24.69 61.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.8 7.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.409 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -176.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.029 0.442 . . . . 0.0 111.661 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -126.94 136.32 52.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.54 ' HB2' HG12 ' A' ' 125' ' ' VAL . 75.4 t80 -94.84 134.55 37.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.973 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.63 155.08 40.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.467 ' HG2' HH22 ' A' ' 136' ' ' ARG . 37.1 mt-10 -88.61 144.86 26.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.9 p -151.94 170.95 18.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.036 0.445 . . . . 0.0 111.853 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.51 ' HB3' ' HG1' ' A' ' 161' ' ' THR . 37.9 t -150.73 115.28 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.54 0.43 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -99.85 -46.0 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.51 ' HG1' ' HB3' ' A' ' 158' ' ' SER . 54.2 p -91.28 -4.41 55.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.411 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 35.41 38.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.528 0.518 . . . . 0.0 111.752 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.94 -52.28 9.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.872 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.19 13.7 21.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.838 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.9 p -63.54 -36.07 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.73 -27.28 61.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -60.29 -31.21 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.579 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.526 HG11 HG13 ' A' ' 126' ' ' VAL . 2.5 m -74.57 -36.71 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 111.385 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.33 -37.62 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -71.73 -49.96 34.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.21 -48.94 73.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.314 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.5 tm? -60.28 -41.1 92.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.013 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.5 ttm -56.74 -46.13 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.414 ' HG2' HD11 ' A' ' 57' ' ' LEU . 89.4 mtm180 -69.62 -40.2 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.75 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.29 -35.08 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.49 HD11 ' HA3' ' A' ' 88' ' ' GLY . 97.3 mt -72.93 -54.68 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 111.73 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 181' ' ' MET . 7.3 ppt_? -60.6 -26.25 66.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.622 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.402 ' HG1' ' HD2' ' A' ' 177' ' ' ARG . 97.8 m -87.41 -59.26 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.418 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.9 tttp -70.67 -53.94 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.6 tttp -61.15 -59.17 5.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.6 mmt -57.38 -13.92 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.767 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 46.9 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.31 151.02 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 tp -123.51 105.87 10.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.205 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -104.52 114.19 28.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -101.62 107.63 18.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.379 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.66 139.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.0 mm -106.34 141.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.089 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 tpt -91.55 87.69 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -97.7 162.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 173.57 -160.57 30.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.653 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -61.72 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.583 ' H ' ' HZ2' ' A' ' 27' ' ' LYS . . . 127.25 -5.12 7.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.14 82.72 0.08 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.95 -33.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.3 45.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.409 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HZ2' ' H ' ' A' ' 23' ' ' GLY . 52.5 mttp -55.93 -43.73 77.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.004 0.431 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.1 p -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.282 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.069 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.46 HD11 HG23 ' A' ' 165' ' ' VAL . 1.9 mm? -63.8 -24.57 67.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.1 m -67.12 -48.95 66.54 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.173 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.57 -44.46 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.46 -35.97 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.631 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -72.36 -30.11 64.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.435 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.528 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 27.2 ttm -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -121.18 -10.34 9.0 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 162' ' ' ARG . 9.0 m-20 59.94 29.84 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.68 127.33 47.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -83.16 113.82 20.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.12 141.15 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.1 -52.03 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 128.96 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -119.34 158.61 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -107.91 124.8 33.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 144.39 73.17 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.215 1.943 . . . . 0.0 112.362 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -117.14 117.53 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -111.77 -39.08 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.89 4.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.74 132.41 38.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 m -112.3 163.51 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 56.8 m-85 -103.37 152.82 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.378 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -137.39 144.06 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.956 0.407 . . . . 0.0 111.258 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -157.8 158.14 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.38 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.589 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 10.6 mtmp? -110.21 124.12 51.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 111.337 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.529 HG21 ' HE2' ' A' ' 173' ' ' MET . 10.8 m -137.38 142.61 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.627 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.5 p -98.47 146.2 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.023 0.439 . . . . 0.0 111.911 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' SD ' ' A' ' 173' ' ' MET . 56.3 mt -123.72 94.65 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 54.9 30.88 14.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.464 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.88 -54.17 0.75 Allowed Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.519 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -80.09 118.67 22.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.801 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -92.35 131.37 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.98 154.89 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.62 142.51 29.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.249 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.6 tt -115.32 145.4 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.1 t70 -136.27 113.67 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.8 mt -106.43 137.3 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.202 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.43 106.02 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.32 131.23 34.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.2 p -107.76 123.42 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.5 -159.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.554 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -54.73 -30.02 55.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.284 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -53.81 -32.57 53.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -72.99 -35.8 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.213 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.78 -26.91 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.75 -18.51 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HE ' HG11 ' A' ' 114' ' ' VAL . 29.7 ttm180 -83.95 -20.66 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.951 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.5 p -94.34 13.23 24.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.84 171.73 22.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.4 -53.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.495 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.2 163.13 27.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -138.39 136.87 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -122.0 106.09 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -83.28 96.12 8.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.244 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 126' ' ' VAL . 13.7 p -109.29 134.56 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.982 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.7 p90 -143.24 -175.12 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.2 m -119.66 146.87 45.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 HD12 ' HE ' ' A' ' 136' ' ' ARG . 5.6 pt -78.72 -34.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.1 p -59.39 -20.48 55.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.369 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -123.13 104.18 9.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -63.05 -19.64 64.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.93 -25.88 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.439 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 16.4 m -66.48 -53.38 35.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.313 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -58.85 -35.45 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.07 0.462 . . . . 0.0 111.245 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 103' ' ' ALA . 74.1 p -71.61 -52.61 17.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.491 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.524 ' N ' ' HG1' ' A' ' 102' ' ' THR . . . -60.79 -37.83 83.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.539 ' HB ' HD12 ' A' ' 91' ' ' LEU . 5.1 p -57.3 -38.25 73.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.124 0.488 . . . . 0.0 110.635 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.33 71.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.17 -44.78 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -59.03 -25.01 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.209 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.42 ' HD2' ' NE1' ' A' ' 150' ' ' TRP . 18.3 ttt180 -50.4 -37.48 37.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.321 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.67 -46.45 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.424 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.43 -25.26 49.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.114 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 108' ' ' ARG . 93.5 mt -67.21 -45.05 87.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.87 -26.55 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.735 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -52.41 -50.53 62.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.583 HG21 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -70.57 -38.92 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.753 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.7 mmtt -98.89 37.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.86 -26.81 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -90.12 -25.0 20.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.8 tp10 -83.49 141.9 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.986 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.19 -60.52 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.85 123.06 23.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.721 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.8 mm -123.03 104.97 35.03 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.495 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 28.4 Cg_endo -63.02 123.45 12.25 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.324 2.016 . . . . 0.0 111.91 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.8 tp -145.81 159.54 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 111.274 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.0 tp -160.83 128.65 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.475 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 154' ' ' TYR . 2.6 p -101.7 142.53 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 92' ' ' VAL . 14.3 p -151.63 151.83 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.39 115.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -79.4 -160.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 61.76 13.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.57 0.224 . . . . 0.0 111.205 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.424 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.1 t -57.74 -13.99 5.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.7 -5.41 15.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 44.4 mt -123.54 85.17 2.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.9 -39.63 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.317 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.0 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.43 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.7 mtp180 -110.04 3.59 20.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.471 ' HE ' HD12 ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.37 109.65 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -89.81 -27.64 19.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.483 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.9 t -94.04 104.44 13.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.292 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.75 128.2 22.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.094 1.863 . . . . 0.0 111.468 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -48.32 -42.77 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.456 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.11 -49.59 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.5 -35.04 79.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.03 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.2 mtm180 -77.62 -31.23 52.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -65.58 -52.11 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.387 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -47.39 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.65 89.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.962 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.93 -32.61 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.346 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.86 -39.78 59.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.844 0.354 . . . . 0.0 110.452 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.42 ' NE1' ' HD2' ' A' ' 108' ' ' ARG . 8.9 m0 -73.67 -24.9 60.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.24 16.5 13.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.928 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.62 174.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 111.462 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.07 141.95 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.772 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.499 ' HB2' HG13 ' A' ' 125' ' ' VAL . 47.9 t80 -102.84 140.73 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 111.415 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.19 155.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.98 147.23 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.6 p -148.48 169.0 21.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.482 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.8 m -141.16 111.68 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.597 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.94 -0.45 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -99.18 -41.56 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -94.27 -7.51 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 37' ' ' ASP . 6.7 ppt_? 35.99 36.52 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.233 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.85 -55.62 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.813 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.89 18.08 19.17 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.46 HG23 HD11 ' A' ' 30' ' ' LEU . 7.5 p -66.61 -42.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.716 0.293 . . . . 0.0 110.897 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.1 -14.75 61.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -58.73 -39.85 82.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.589 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.85 -26.84 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -72.83 -45.6 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.694 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -72.04 -32.2 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.25 -51.22 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.2 tm? -60.49 -36.9 79.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.278 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.529 ' HE2' HG21 ' A' ' 55' ' ' VAL . 44.4 ttm -57.65 -44.44 85.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.59 -37.38 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.2 -51.02 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.533 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 73.1 mt -58.11 -31.94 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.272 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -73.54 -53.07 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.681 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.4 m -87.72 -58.92 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -58.02 -53.92 52.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.9 tttm -64.88 -54.89 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 51.3 mtt -61.41 -17.94 56.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.509 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 137.9 31.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -120.45 107.47 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.31 139.25 39.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 61.1 mttm -124.49 115.9 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.291 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.1 133.19 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.277 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.7 mm -109.71 114.58 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 93.6 mmm -65.18 96.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -100.65 167.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.749 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' HA2' HD23 ' A' ' 91' ' ' LEU . . . 175.05 -156.53 22.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.723 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 28.7 t -61.52 -41.3 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.958 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' HA2' ' HZ1' ' A' ' 27' ' ' LYS . . . 135.77 -6.57 4.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.471 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.7 40.48 0.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 22' ' ' SER . 79.3 t -95.47 -50.31 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.635 0.255 . . . . 0.0 111.361 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.61 37.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 21' ' ' GLY . 79.4 mttt -48.98 -34.91 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.449 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.5 p -80.87 -28.78 35.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.807 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.56 -53.27 60.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 1.5 mm? -63.33 -24.49 67.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 28' ' ' SER . 44.3 m -67.46 -56.06 11.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.892 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.54 -40.59 75.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.292 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -59.41 -42.57 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 111.223 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.81 -31.9 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mmm -81.6 -50.35 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.85 -6.97 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 58.1 77.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.014 0.435 . . . . 0.0 110.804 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -168.01 130.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -80.93 109.22 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.272 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.64 145.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.65 -25.86 7.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.36 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.08 163.27 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 t80 57.36 101.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.51 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -153.33 73.07 6.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.0 126.43 9.32 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.598 2.198 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.5 m -136.92 105.96 5.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -121.85 -67.03 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.82 -5.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.09 127.71 33.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -111.13 165.83 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -104.19 159.14 15.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -148.79 144.43 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -168.56 136.01 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 122.27 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.65 141.07 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 9.0 p -76.1 139.45 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.09 113.27 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.44 31.54 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.07 -32.16 5.83 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.555 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.69 115.14 27.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -74.85 114.19 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.034 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -121.77 145.97 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.05 134.21 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -106.27 138.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.4 t70 -126.27 113.64 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.409 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.34 149.7 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 111.614 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD11 ' H ' ' A' ' 69' ' ' THR . 2.1 tm? -130.12 122.09 27.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.902 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -46.35 -57.71 4.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.867 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.462 ' H ' HD11 ' A' ' 67' ' ' LEU . 24.4 m 65.04 101.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.16 -169.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.444 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 60.8 mt . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.851 0.357 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -53.98 -45.55 71.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.83 -36.79 82.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 89.2 m-20 -56.3 -39.84 73.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.406 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -68.81 -38.76 80.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.339 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' HB2' HG12 ' A' ' 114' ' ' VAL . 24.0 m-85 -68.46 -20.61 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -79.44 -6.86 57.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -93.14 0.19 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -149.32 150.1 22.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.12 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 39.7 mt-10 -85.86 -47.39 9.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.872 0.368 . . . . 0.0 110.607 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 166.09 33.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -139.55 136.25 34.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.9 102.17 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.81 114.39 21.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 30' ' ' LEU . 85.2 t -121.84 139.16 49.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.581 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.6 p90 -146.9 154.76 41.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.94 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.458 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 75.0 m -94.17 134.26 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.4 pt -65.91 -21.32 28.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -81.0 -47.63 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.008 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.67 101.79 11.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.7 -18.14 61.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.24 -26.91 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.734 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.489 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 24.1 m -70.4 -53.87 14.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.531 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.26 -44.14 67.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.883 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 t -72.46 -53.1 13.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.73 81.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.852 0.358 . . . . 0.0 111.43 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD13 ' A' ' 91' ' ' LEU . 9.6 p -54.96 -34.69 63.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.199 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.01 71.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.46 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -68.23 -45.21 73.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -59.21 -25.05 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -49.3 -49.86 41.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.281 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.63 -29.45 65.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.381 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.63 -27.58 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.14 -40.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.474 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.4 -26.65 66.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -50.93 -51.14 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.83 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.491 HG21 ' H ' ' A' ' 115' ' ' LYS . 13.5 m -69.5 -52.12 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.985 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.491 ' H ' HG21 ' A' ' 114' ' ' VAL . 74.6 mmtt -85.98 39.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -6.8 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.49 -18.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.084 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -93.99 145.15 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.24 -37.93 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.555 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -99.65 105.24 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.6 mm -99.78 105.28 33.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.424 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.24 122.75 10.57 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.299 1.999 . . . . 0.0 111.897 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -140.48 155.06 46.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.39 122.94 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.11 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 154' ' ' TYR . 4.6 p -97.63 143.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.501 . . . . 0.0 111.826 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 168' ' ' VAL . 22.0 t -139.99 127.21 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.307 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.99 123.55 7.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.917 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -93.3 -168.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.458 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 70.1 mmtt 58.92 18.23 6.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.4 m -65.41 -12.67 54.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.34 9.64 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 30.0 mt -128.33 82.02 2.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.74 -28.14 62.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -84.67 -40.65 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 78.6 mtp180 -78.92 0.18 28.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.47 111.77 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -87.75 -33.18 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.528 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -105.58 117.15 58.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.57 124.51 14.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.794 1.662 . . . . 0.0 111.421 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -51.44 -43.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.184 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -63.23 -38.28 90.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.59 70.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -72.57 -34.28 67.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.185 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -65.79 -53.25 42.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.444 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.568 ' HZ2' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -61.81 -47.49 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.479 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -60.27 -47.29 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -51.4 -31.69 23.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.528 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 151' ' ' GLY . 20.0 mm-40 -51.97 -43.21 63.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.568 ' HE1' ' HZ2' ' A' ' 146' ' ' LYS . 7.4 m0 -71.03 9.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.95 25.88 75.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.272 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 150' ' ' TRP . 20.0 m -121.72 162.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 111.638 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -104.46 126.02 51.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.533 ' HB2' HG11 ' A' ' 125' ' ' VAL . 19.0 t80 -95.36 130.42 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.985 0.422 . . . . 0.0 111.104 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.3 t -123.52 150.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.23 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.42 139.92 30.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 164' ' ' ASN . 40.3 p -146.9 166.44 26.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.104 0.478 . . . . 0.0 111.657 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.434 ' HB3' ' HG1' ' A' ' 161' ' ' THR . 36.3 t -139.51 112.58 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.997 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.49 -6.3 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.845 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -96.9 -34.95 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 111.215 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.434 ' HG1' ' HB3' ' A' ' 158' ' ' SER . 58.6 p -97.96 -9.04 26.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.455 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.5 ppt_? 34.08 41.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.641 0.588 . . . . 0.0 111.853 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.55 -55.62 5.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.364 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.45 ' HB3' HG22 ' A' ' 157' ' ' THR . 1.0 OUTLIER -111.97 12.55 20.74 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 168' ' ' VAL . 46.5 t -64.68 -46.82 91.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -73.29 -15.18 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.413 ' HD2' ' ND2' ' A' ' 164' ' ' ASN . 5.9 tmtm? -69.14 -45.34 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.354 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 126' ' ' VAL . 35.1 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.482 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -66.53 -47.5 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.509 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -68.52 -35.14 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.412 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 19.2 t70 -62.46 -31.94 72.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 175' ' ' GLU . 57.5 tp -72.53 -47.15 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.401 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 28.8 mtm -55.39 -35.82 65.73 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.743 0.306 . . . . 0.0 111.509 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 74.8 mtm180 -69.76 -47.91 61.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 172' ' ' LEU . 11.4 pt-20 -67.76 -25.36 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.54 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 79.1 mt -71.18 -55.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.341 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 181' ' ' MET . 61.3 mtp180 -59.44 -28.78 67.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.5 m -86.85 -59.16 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.9 -53.95 13.22 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 62.8 tttm -58.29 -52.97 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -65.88 -15.34 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.638 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 111.107 -179.819 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.6 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 158.24 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -123.99 113.98 19.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -110.49 154.14 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.781 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.38 141.26 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.21 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.552 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -132.38 115.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mm -99.46 106.23 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.613 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 78.6 mmm -59.94 91.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.204 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -98.84 159.71 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.193 -179.418 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' HG21 ' A' ' 20' ' ' VAL . . . -174.66 -161.29 24.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.417 ' OG ' HG23 ' A' ' 25' ' ' VAL . 80.0 p -60.2 -40.54 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.416 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.08 36.98 0.68 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.308 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.96 39.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.578 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 93' ' ' PHE . 54.6 t -99.66 -73.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.13 43.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.145 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -53.67 -46.78 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.224 -179.84 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.8 p -51.0 -29.91 13.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.72 62.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 0.6 OUTLIER -66.07 -25.11 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.826 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.4 m -65.49 -46.43 79.77 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.33 -44.43 65.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.484 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.6 mm100 -56.99 -41.79 79.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -72.54 -25.01 61.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.785 0.326 . . . . 0.0 111.517 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.401 ' HE2' ' CE1' ' A' ' 51' ' ' TYR . 29.8 ttm -81.46 -46.01 15.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -123.86 -7.09 7.88 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 58.4 44.17 18.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.481 . . . . 0.0 110.597 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -154.11 127.53 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.023 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.44 143.19 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.55 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -80.73 18.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -116.36 175.96 5.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -158.42 -176.91 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.746 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.85 134.2 11.36 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 151.4 35.17 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.491 2.127 . . . . 0.0 112.233 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -68.58 103.11 1.61 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -97.84 27.11 4.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.86 15.38 8.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -107.77 131.28 54.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -87.49 175.15 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.244 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -123.87 154.98 38.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.572 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 80.9 mtm180 -142.38 145.4 33.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.386 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 39.2 ttpt -151.16 154.64 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -98.77 128.97 45.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.57 146.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.456 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.5 p -106.78 141.32 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.951 0.405 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.84 103.67 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 56.18 31.21 17.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.232 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.47 -46.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.064 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.85 114.05 15.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -91.34 114.15 26.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.41 163.18 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.307 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.9 139.69 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 13.6 tt -110.12 139.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.762 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.5 t70 -131.01 122.59 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.552 HG12 ' HB ' ' A' ' 17' ' ' VAL . 92.2 mt -125.71 128.54 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -101.2 112.66 25.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.61 140.27 42.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -161.85 150.31 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.29 -176.57 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.335 179.709 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.91 0.386 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -51.48 -40.96 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.84 -31.77 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.469 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.05 -36.84 82.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.897 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -77.61 -41.7 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.47 -26.5 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -73.43 -15.97 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -104.99 9.65 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.16 138.81 12.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.767 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -86.44 -54.79 4.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.58 158.7 20.37 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.29 135.96 43.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.594 0.235 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.55 105.28 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.843 179.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 104' ' ' THR . 11.7 tp -82.23 119.28 23.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.668 0.271 . . . . 0.0 110.281 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.413 HG12 ' HB ' ' A' ' 126' ' ' VAL . 8.8 t -133.29 138.87 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.902 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.584 ' HB3' HG23 ' A' ' 104' ' ' THR . 12.8 p90 -145.27 171.02 15.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.345 178.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.0 m -107.68 137.94 44.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.249 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.477 HD11 ' HE ' ' A' ' 136' ' ' ARG . 17.6 pt -64.99 -35.79 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 179.209 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 p -66.97 -14.34 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -119.62 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.709 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -63.13 -16.44 60.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -73.47 -26.48 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -71.49 -50.35 32.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.859 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -50.76 -33.6 23.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 111.934 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -72.78 -53.76 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.818 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.4 -36.38 83.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.584 HG23 ' HB3' ' A' ' 93' ' ' PHE . 16.6 p -58.1 -33.13 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.77 68.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.854 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.19 -49.78 40.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -53.62 -30.64 43.65 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.001 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -50.23 -41.09 49.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.689 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.25 -45.95 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.4 -28.62 59.86 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.86 -43.0 87.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.289 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.71 -26.43 66.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.765 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -53.35 -50.53 64.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 115' ' ' LYS . 10.3 m -70.59 -44.34 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.006 -179.102 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.1 mmtt -94.59 34.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.18 -27.18 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.69 -32.87 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.37 168.99 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -120.43 -33.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -93.13 106.66 18.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.527 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.84 104.61 50.85 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.358 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.411 ' HD3' ' HE3' ' A' ' 180' ' ' LYS . 40.6 Cg_endo -66.94 132.07 27.23 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.333 2.022 . . . . 0.0 112.014 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.9 tp -148.49 155.2 40.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.008 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.9 tp -162.24 129.23 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.285 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.484 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -95.25 141.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 111.026 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.413 ' HB ' HG12 ' A' ' 92' ' ' VAL . 21.7 t -137.11 151.87 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.87 103.97 0.51 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -81.26 -166.22 1.11 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.4 ' O ' HD13 ' A' ' 95' ' ' ILE . 70.3 mmtt 63.22 12.74 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.049 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -60.22 -14.3 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.17 -7.32 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.555 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 135' ' ' ARG . 55.6 mt -116.41 80.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.718 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.88 -17.18 62.73 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.9 pt-20 -93.48 -6.83 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.471 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.436 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.4 mtt180 -122.05 15.5 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.369 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.477 ' HE ' HD11 ' A' ' 95' ' ' ILE . 43.7 ttm180 -77.28 108.25 10.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -84.97 -31.69 23.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.312 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 48.5 t -103.68 101.03 21.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.569 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 11.6 Cg_endo -55.98 142.55 84.93 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.177 1.918 . . . . 0.0 111.208 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.3 p -55.34 -48.42 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.759 -179.253 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -54.9 -49.71 70.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.544 -179.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.4 -36.41 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.757 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.1 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -77.61 -32.61 53.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -66.31 -46.84 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -44.31 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.19 98.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.552 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.89 -31.68 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.03 -44.45 61.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.622 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.28 -23.0 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.11 28.62 5.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.19 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.15 -178.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.197 0.523 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.34 145.3 50.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.484 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.2 t80 -107.31 137.65 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.315 0.578 . . . . 0.0 111.814 -179.033 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.13 149.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.01 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.7 p -143.89 165.45 27.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.478 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.1 p -146.0 110.92 5.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.552 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.75 -4.3 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.814 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.89 -54.52 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 p -94.03 1.43 56.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.484 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 32.31 48.93 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.9 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.72 -56.03 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.094 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -111.99 11.63 20.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -63.52 -43.19 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.795 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.86 -21.96 59.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 167' ' ' LYS . 34.1 tptt -65.04 -41.97 94.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.706 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 165' ' ' VAL . 13.7 m -69.99 -27.25 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.794 0.33 . . . . 0.0 111.706 -178.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -75.28 -47.71 26.65 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -70.21 -41.44 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.419 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.36 -42.63 92.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.33 -32.41 68.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.5 ttm -62.47 -48.73 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -62.07 -31.05 71.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.462 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 86.4 mt -72.84 -54.48 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -52.18 -36.35 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.7 m -86.74 -58.95 2.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.421 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 83.8 tttt -70.41 -54.76 11.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 4.7 tppp? -57.33 -47.02 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.0 mmt -72.6 -13.0 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.734 179.973 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.577 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.36 141.9 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -107.63 107.18 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.76 122.72 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -105.11 117.94 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.988 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 134.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD11 ' HA3' ' A' ' 86' ' ' GLY . 28.4 mm -99.02 131.84 45.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tpt -85.15 95.67 9.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.545 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 1.9 t -83.89 167.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' H ' HG13 ' A' ' 20' ' ' VAL . . . 173.53 169.17 35.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.695 179.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.9 t -58.48 -67.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.118 0.485 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.99 -28.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.118 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.2 39.34 1.25 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.425 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 22' ' ' SER . 74.9 t -88.06 -62.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.687 0.279 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.42 43.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.726 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptpp? -54.64 -37.35 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 110.875 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 31' ' ' THR . 69.7 p -66.95 -30.0 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.119 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.61 -52.44 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.17 -24.65 64.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.1 m -74.09 -44.33 54.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.789 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.68 -38.95 73.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 16.2 mm100 -59.12 -37.85 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.976 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.67 -25.32 61.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.478 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 tpp -82.02 -49.61 10.05 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -108.51 -10.37 15.27 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.0 t70 60.03 31.99 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 110.519 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.08 151.94 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -90.39 105.98 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.46 151.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.978 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -112.92 117.39 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -134.62 -40.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 59.16 99.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -143.21 98.88 5.47 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.7 157.68 22.72 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.474 2.116 . . . . 0.0 112.094 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 69' ' ' THR . 13.7 t -113.4 155.65 24.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -126.13 -35.22 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.65 -7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.51 133.68 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.9 p -130.0 176.58 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.018 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -104.85 149.6 25.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -144.01 129.66 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.892 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.41 139.95 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 60.9 mttp -85.64 126.62 34.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.72 137.29 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -67.41 132.45 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD11 ' HG2' ' A' ' 174' ' ' ARG . 55.1 tp -134.17 107.04 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 56.27 31.34 18.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.91 -29.63 12.07 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.98 114.9 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.802 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.1 tt0 -74.4 118.15 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.34 147.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.264 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.508 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -82.29 129.52 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.514 HD11 ' HE1' ' A' ' 173' ' ' MET . 11.1 tt -108.88 138.1 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -120.19 113.81 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.4 mt -114.7 133.03 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.92 134.51 51.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.6 -43.49 89.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.55 ' H ' HG23 ' A' ' 46' ' ' THR . 73.1 p 51.74 -172.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.433 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.5 -175.85 0.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.181 179.615 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.886 0.374 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -59.01 -37.15 76.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.73 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -53.93 -34.82 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -65.38 -45.63 83.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.304 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -65.78 -32.04 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.772 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -77.93 -7.95 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -96.66 5.97 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -138.94 167.05 25.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.575 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.437 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 41.4 mt-10 -106.86 -40.6 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.654 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -98.15 160.04 20.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.646 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -135.94 135.34 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.63 0.252 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.0 tp -130.28 106.37 8.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.565 HD13 ' HB ' ' A' ' 104' ' ' THR . 5.7 tp -83.06 138.81 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.688 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -142.42 131.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 0.0 111.621 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.509 ' HB3' HG22 ' A' ' 104' ' ' THR . 15.2 p90 -138.32 158.07 45.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.541 178.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.3 t -99.03 144.07 28.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 36.0 pt -77.26 -33.97 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.955 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.471 ' HG1' ' HE2' ' A' ' 129' ' ' LYS . 46.9 p -67.46 -10.62 53.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.018 179.679 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.18 99.89 4.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -62.8 -16.17 56.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.268 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.27 -26.52 62.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.488 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 89.6 p -67.19 -53.65 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.64 -38.51 55.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.664 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.2 p -71.89 -54.27 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.178 -178.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.93 89.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.565 ' HB ' HD13 ' A' ' 91' ' ' LEU . 33.1 p -54.36 -31.51 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.605 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.64 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.172 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -49.07 78.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.43 ' O ' HG13 ' A' ' 111' ' ' ILE . 69.9 m-85 -56.59 -34.67 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -49.91 -50.66 45.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.49 -37.0 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.18 -26.8 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.401 -179.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.6 mt -63.21 -41.7 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.951 0.405 . . . . 0.0 110.715 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.07 -29.85 68.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -63.83 -50.98 66.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.447 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 115' ' ' LYS . 5.0 m -66.35 -13.68 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.5 mmtt -121.12 36.07 4.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -13.15 14.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -98.5 -23.23 15.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.509 ' HG2' ' HZ3' ' A' ' 180' ' ' LYS . 11.4 tp10 -95.9 141.22 29.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.93 -49.21 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -76.52 107.46 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.1 mm -121.04 103.36 42.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.654 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 71.8 Cg_endo -76.92 123.83 7.04 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.488 2.125 . . . . 0.0 112.178 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.7 tp -135.69 161.38 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.7 tp -165.68 127.88 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 154' ' ' TYR . 2.7 p -101.32 143.33 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 0.0 111.46 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.435 HG11 HG11 ' A' ' 168' ' ' VAL . 34.6 t -141.88 156.07 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.27 128.17 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.66 -170.5 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.471 ' HE2' ' HG1' ' A' ' 96' ' ' THR . 28.6 mmmt 60.15 14.61 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.432 ' HA ' HH21 ' A' ' 136' ' ' ARG . 42.7 t -62.61 -14.9 48.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.15 -15.33 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.516 HD11 ' HD3' ' A' ' 135' ' ' ARG . 39.5 mt -108.43 81.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.691 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.78 -17.49 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.451 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -91.88 -21.05 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD3' HD11 ' A' ' 132' ' ' LEU . 81.0 mtp180 -105.95 25.49 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.432 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.7 ttm105 -95.15 110.97 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.25 -31.8 22.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.6 107.53 40.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.283 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.59 130.96 35.57 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.001 1.801 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -48.35 -44.59 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -179.525 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.45 -47.77 75.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.38 -39.15 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.76 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.8 mtt180 -73.76 -38.49 64.69 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -63.09 -49.75 73.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.423 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -66.72 -43.59 83.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.817 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.42 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -64.11 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.267 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.06 -32.67 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -54.8 -38.66 67.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.423 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 22.1 m0 -70.36 -21.42 62.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.84 20.52 10.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.554 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.3 m -127.17 175.85 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.504 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -117.71 130.3 56.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.832 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.469 ' HA ' HG13 ' A' ' 125' ' ' VAL . 41.5 t80 -95.29 140.29 30.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.113 0.483 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.46 150.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.85 143.05 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.698 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 38.9 p -149.44 153.9 38.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.514 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.5 m -117.56 109.96 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.27 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.303 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -88.19 -34.07 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.7 p -100.89 -8.5 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? 34.95 37.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.565 0.541 . . . . 0.0 111.992 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.66 -55.65 5.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.124 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -108.9 13.05 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.45 ' O ' HG21 ' A' ' 168' ' ' VAL . 58.7 t -68.98 -42.12 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.281 . . . . 0.0 111.111 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.03 -14.88 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.554 ' HZ2' ' HB2' ' A' ' 171' ' ' ASP . 6.3 tmtm? -69.44 -31.83 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.211 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 165' ' ' VAL . 3.0 m -76.81 -26.93 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.153 -179.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -72.06 -45.91 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -69.34 -36.9 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 167' ' ' LYS . 22.2 t70 -59.48 -54.01 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.43 -36.06 82.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.514 ' HE1' HD11 ' A' ' 64' ' ' ILE . 43.8 ttm -56.96 -42.61 80.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' HD11 ' A' ' 57' ' ' LEU . 93.8 mtt180 -67.99 -34.58 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.7 -33.39 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.3 mt -73.06 -54.97 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.425 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.452 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -57.35 -28.24 62.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.493 -179.23 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 61.2 m -88.21 -60.43 1.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.79 -54.54 9.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.509 ' HZ3' ' HG2' ' A' ' 118' ' ' GLU . 54.6 tptt -58.01 -39.28 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.5 mmt -81.16 -14.58 57.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 179.912 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.55 177.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.4 tp -132.88 107.92 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 177' ' ' ARG . 56.7 m-70 -104.24 115.11 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.81 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -93.76 117.45 30.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -107.16 128.89 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.18 132.96 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -83.92 83.69 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.715 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -90.84 153.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.51 -160.01 22.47 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.725 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 104' ' ' THR . 78.0 p -66.34 -46.94 75.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.643 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.82 -6.74 1.87 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.061 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.29 73.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.74 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.64 -20.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.841 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.37 49.54 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.923 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.6 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -60.71 -43.48 97.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.097 0.475 . . . . 0.0 110.411 179.817 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.2 p -57.67 -29.26 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.142 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.97 -52.26 66.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.91 -179.262 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 1.7 mm? -62.11 -24.83 67.37 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.544 HG21 HG21 ' A' ' 66' ' ' ILE . 86.5 m -73.43 -41.54 63.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.69 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.759 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HB2' HG22 ' A' ' 165' ' ' VAL . 15.0 mm100 -66.26 -28.71 68.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 111.333 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -73.54 -53.52 10.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.873 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 ttm -82.38 -49.72 9.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -89.17 -26.22 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.1 m-20 57.2 42.94 24.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.047 0.451 . . . . 0.0 110.217 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.09 141.01 21.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.204 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.93 106.94 19.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.663 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.7 p -134.94 151.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -83.16 7.17 16.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.4 t70 -93.43 139.07 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.062 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.28 171.8 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.25 124.2 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.767 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.35 122.6 12.07 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.366 2.044 . . . . 0.0 112.356 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.9 m -91.94 136.63 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HB2' ' HZ1' ' A' ' 47' ' ' LYS . 4.6 ttmp? -131.08 -46.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.17 -11.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.35 134.32 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.5 t -119.02 173.64 6.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -115.39 158.59 22.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -143.93 138.47 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -152.64 156.37 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -115.48 123.31 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.22 147.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.3 p -79.03 146.18 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.42 111.4 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.95 31.33 20.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.557 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.18 -19.64 45.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -106.78 114.6 28.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.5 tt0 -78.58 144.28 35.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.1 153.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.76 143.46 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.39 132.35 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -119.64 116.18 25.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.684 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 31' ' ' THR . 82.4 mt -109.89 128.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 111.365 -179.6 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.2 113.94 18.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -78.77 117.16 19.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.2 p -102.08 117.5 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.83 -176.42 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.679 -179.842 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.967 0.413 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -55.26 -42.5 73.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.65 -31.34 47.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.338 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.37 -49.3 77.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -60.42 -35.38 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.301 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -78.14 -25.74 47.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' N ' HG11 ' A' ' 114' ' ' VAL . 55.2 ttt180 -83.81 -17.27 41.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -88.32 7.83 30.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.31 142.9 11.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.476 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 12.6 mm-40 -89.88 -37.14 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.87 20.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.1 143.0 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.006 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.425 HD11 HG22 ' A' ' 168' ' ' VAL . 3.1 tt -136.04 105.02 5.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.294 179.408 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.597 HD21 ' HB ' ' A' ' 104' ' ' THR . 18.8 tp -83.0 132.53 35.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.285 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.445 HG11 HD23 ' A' ' 30' ' ' LEU . 25.2 t -131.92 119.61 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.5 p90 -126.96 141.29 51.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.91 0.386 . . . . 0.0 110.465 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.0 t -85.93 143.58 28.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.358 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 129' ' ' LYS . 5.0 pt -78.79 -32.95 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.684 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 p -59.39 -37.38 77.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.57 106.32 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -62.61 -16.41 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.699 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.56 -26.55 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.143 0.497 . . . . 0.0 110.079 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -65.51 -52.23 54.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -55.09 -37.27 66.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.768 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.22 -53.79 11.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.728 -179.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.28 91.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.597 ' HB ' HD21 ' A' ' 91' ' ' LEU . 14.8 p -59.32 -40.6 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 178.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.93 65.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.765 179.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.66 -31.13 66.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.862 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -76.5 -26.51 55.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.484 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -54.26 -40.77 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.631 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.73 -28.98 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -73.53 -26.26 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.08 -37.93 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.34 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.77 -25.97 65.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.1 mmp_? -50.68 -51.15 52.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG21 ' HG2' ' A' ' 115' ' ' LYS . 6.1 m -66.63 -36.06 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.4 mmtt -105.25 54.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -39.89 33.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.384 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.44 -47.63 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.402 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 56.19 105.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.199 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.61 -50.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.774 179.077 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.422 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.4 mmtt -146.15 81.7 1.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.639 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 19.9 mm -84.35 110.3 25.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.03 130.91 6.7 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.858 2.372 . . . . 0.0 111.043 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.4 tp -153.12 159.0 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.537 -179.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 23.9 tp -162.32 118.91 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.324 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 147' ' ' ALA . 3.7 p -96.11 143.75 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.52 -179.296 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.475 HG21 HG12 ' A' ' 168' ' ' VAL . 5.9 p -142.91 154.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.137 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -123.36 110.78 1.56 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.149 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.37 -166.36 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 95' ' ' ILE . 71.1 mmtt 59.8 13.2 3.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.178 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -60.65 -13.3 13.74 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.144 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.86 -3.45 9.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.69 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.506 HD12 ' HD3' ' A' ' 135' ' ' ARG . 32.7 mt -120.36 85.06 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.9 -25.88 61.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.0 pt-20 -86.41 -6.71 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.506 ' HD3' HD12 ' A' ' 132' ' ' LEU . 79.0 mtp180 -119.51 6.67 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.9 ttm180 -75.42 109.42 8.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.507 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -88.81 -30.24 19.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.547 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.43 106.16 37.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.198 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.81 128.56 29.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.014 1.81 . . . . 0.0 111.398 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -50.27 -43.96 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.76 -47.51 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.102 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.41 -35.37 75.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.93 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.2 mtt180 -64.9 -46.6 81.04 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -58.81 -50.3 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.483 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.463 ' NZ ' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -66.27 -40.29 90.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 -179.35 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.474 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -66.61 -31.59 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.373 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -32.37 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.892 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.13 -45.85 65.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.463 ' HE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.5 m0 -66.66 -23.26 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.89 25.63 6.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.556 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.44 174.13 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.086 0.47 . . . . 0.0 111.618 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -115.76 131.56 56.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.414 178.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.468 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -95.14 140.65 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 111.418 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.417 HG13 HG22 ' A' ' 126' ' ' VAL . 9.2 p -135.34 154.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.484 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.47 144.31 26.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.2 p -150.73 165.09 34.54 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.044 0.45 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.539 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 51.6 m -139.62 111.94 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.418 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.96 -3.03 6.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -93.53 -42.39 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.539 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 70.7 p -94.61 -4.93 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.45 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 35.56 38.82 0.05 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.908 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.42 -55.66 5.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.113 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.62 15.62 20.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.593 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.494 HG22 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -64.45 -39.41 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.75 0.309 . . . . 0.0 110.987 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.55 -21.74 60.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.65 -32.01 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 165' ' ' VAL . 6.3 m -77.61 -29.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -73.79 -43.53 58.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.779 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -72.06 -46.39 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.452 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 15.4 t70 -57.71 -41.31 81.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 176' ' ' ILE . 65.5 tp -71.34 -32.51 68.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.744 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.0 ttm -66.18 -37.44 85.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 88.9 mtm180 -68.45 -47.79 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.915 -179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.7 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.565 0.221 . . . . 0.0 111.521 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 81.2 mt -69.52 -53.49 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.1 ptm180 -71.67 -23.64 61.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.3 m -88.07 -59.82 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.422 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 57.1 tttp -71.14 -54.09 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.476 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 57.1 tttm -61.91 -59.43 5.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.462 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.8 mmt -54.28 -18.67 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.676 0.274 . . . . 0.0 111.612 -179.294 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.254 -179.696 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.642 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 7.3 mp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.714 0.292 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.03 161.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -129.8 109.97 11.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.03 138.9 39.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 95.3 mttt -105.33 146.01 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 111.258 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.6 114.93 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mm -99.14 107.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.9 tpt -69.96 85.81 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.6 p -99.14 163.6 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' HA2' HD23 ' A' ' 91' ' ' LEU . . . 172.23 -160.59 32.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.7 t -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.29 34.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.215 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.31 51.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.94 14.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.9 58.43 2.01 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.393 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.6 mttp -76.62 -52.07 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 63.3 p -55.2 -30.36 59.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.278 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.7 -52.78 48.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.584 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.98 -24.78 63.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 35.5 m -70.28 -45.86 65.49 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.381 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.35 -29.71 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.455 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.4 mm100 -66.19 -36.27 82.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.96 -32.41 65.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.841 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.458 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 46.3 ttm -81.95 -49.4 10.33 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -103.34 -13.52 16.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 15.0 m-20 57.95 32.34 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.115 0.483 . . . . 0.0 110.061 -179.259 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.43 136.97 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.613 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -78.29 116.85 19.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG13 ' H ' ' A' ' 42' ' ' ASP . 40.9 t -133.68 150.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.53 19.47 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.127 -179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' H ' HG13 ' A' ' 40' ' ' VAL . 18.9 t70 -61.75 152.18 31.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -121.12 129.52 53.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -124.22 104.86 31.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.38 152.5 53.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 m -110.29 122.74 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.002 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -134.25 -65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -3.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.59 126.4 35.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.757 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -108.17 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 21.0 m-85 -93.03 163.92 13.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -151.31 135.39 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HZ2' ' HA ' ' A' ' 35' ' ' MET . 40.2 ttpt -155.71 147.22 22.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.764 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -99.96 124.79 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.37 140.56 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.96 139.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 HD22 HH11 ' A' ' 177' ' ' ARG . 65.7 tp -144.21 114.63 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.33 30.97 17.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.21 20.53 57.03 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.677 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.37 113.93 10.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.01 114.28 21.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.79 158.84 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.25 147.77 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.55 126.63 75.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -114.83 114.05 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.4 mt -116.56 144.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 69' ' ' THR . 41.3 tp -106.93 134.46 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.549 179.55 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.71 -32.17 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.51 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 62.2 p 51.61 -176.31 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.653 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -175.04 -172.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.318 179.6 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.043 0.449 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.4 -32.29 68.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.253 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.92 -31.06 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.362 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -49.88 -42.9 48.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -61.13 -32.87 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.578 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -84.22 -21.64 31.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -76.81 -35.5 57.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.177 -179.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -92.57 6.44 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.89 160.1 13.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 9.1 mm-40 -108.27 -59.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.373 . . . . 0.0 110.644 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -88.46 154.03 24.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.087 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -135.25 132.47 37.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.659 0.266 . . . . 0.0 111.057 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.92 102.27 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.909 179.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.613 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.09 121.29 26.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.513 HG11 HG13 ' A' ' 126' ' ' VAL . 15.8 t -128.45 140.83 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.057 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -149.46 150.77 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.495 178.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.408 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 45.2 m -87.36 143.82 27.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.045 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.444 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.1 pt -75.75 -41.82 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -69.42 -10.13 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -118.62 96.72 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.98 -17.15 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.33 -26.19 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 19.5 m -70.16 -53.72 16.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.252 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -54.4 -36.13 63.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.17 -53.26 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.0 70.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.066 0.46 . . . . 0.0 110.81 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.614 HG21 ' HB3' ' A' ' 93' ' ' PHE . 21.7 p -71.86 -30.96 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.95 -41.91 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.917 -179.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.447 ' HG3' ' HD1' ' A' ' 107' ' ' PHE . 7.4 pt-20 -73.57 -42.67 61.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.581 0.229 . . . . 0.0 111.261 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.447 ' HD1' ' HG3' ' A' ' 106' ' ' GLU . 8.5 m-85 -55.92 -27.86 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.769 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 3.2 tmt_? -53.85 -47.36 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.77 -38.21 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.86 -28.3 61.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.74 -48.2 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.28 -26.4 66.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -54.76 -50.23 68.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.285 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.409 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -72.74 -12.39 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.272 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -118.11 34.8 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -18.87 62.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.538 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -91.33 -19.49 22.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.7 168.46 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.78 -63.96 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -74.16 108.88 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.716 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -113.36 117.79 44.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.049 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.49 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.0 Cg_endo -68.98 97.14 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.133 1.889 . . . . 0.0 111.843 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -122.52 156.22 34.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -161.28 124.68 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 147' ' ' ALA . 2.5 p -99.77 143.26 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.453 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.513 HG13 HG11 ' A' ' 92' ' ' VAL . 7.9 p -144.42 156.59 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.57 109.59 1.69 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.188 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -80.13 -174.16 4.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.41 ' O ' HD12 ' A' ' 95' ' ' ILE . 10.0 mmmm 58.01 18.74 5.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.561 ' HB3' ' HG ' ' A' ' 158' ' ' SER . 41.4 t -59.95 -17.88 41.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.374 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.02 -7.74 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.5 mt -109.43 79.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.7 -13.99 61.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -93.74 -24.07 17.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.464 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -100.7 0.12 38.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.4 ttm180 -66.84 107.95 2.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.32 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -94.74 -27.51 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.18 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.8 103.5 10.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.245 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 17.7 Cg_endo -59.3 126.57 21.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.04 1.826 . . . . 0.0 111.182 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -49.48 -43.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.497 -179.384 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.89 -49.58 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.271 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.459 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 36.1 tt0 -66.74 -31.63 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.543 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.46 66.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.5 mtt180 -72.45 -42.7 64.72 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.265 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -58.38 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.458 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.4 OUTLIER -67.71 -47.46 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 -179.578 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.601 ' HB3' HG13 ' A' ' 125' ' ' VAL . . . -58.59 -31.85 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.2 -32.71 73.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.83 -48.17 67.17 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.458 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 11.7 m0 -61.46 -25.8 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.639 179.582 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.67 7.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.63 159.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 111.81 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -98.12 136.03 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.797 178.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.531 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.8 t80 -100.8 142.99 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 111.484 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.31 155.11 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -93.41 144.74 25.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.2 p -150.34 152.56 34.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.65 -179.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.561 ' HG ' ' HB3' ' A' ' 130' ' ' SER . 67.7 m -121.52 111.4 17.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.356 179.421 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -11.33 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.634 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -87.67 -48.1 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.447 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 41.3 p -85.71 -6.57 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.18 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.576 0.548 . . . . 0.0 112.07 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.34 -56.22 4.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.873 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -112.41 17.64 19.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.591 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.02 -41.88 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.259 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -14.81 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.741 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -73.57 -26.87 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -70.94 -48.52 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.99 -40.77 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.303 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.01 -43.07 91.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.035 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.91 -32.92 70.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.86 -34.6 77.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.958 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.48 -47.28 76.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 71.9 mt -57.88 -32.42 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.37 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 181' ' ' MET . 57.2 mtp180 -75.12 -52.85 9.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.878 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 95.5 m -87.83 -59.21 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -178.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -60.53 -53.31 59.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -178.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.602 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 0.2 OUTLIER -64.05 -39.94 95.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.63 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 55.6 mtt -81.08 -17.92 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 120.711 0.291 . . . . 0.0 110.827 -179.815 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.565 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.26 128.16 34.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -98.19 107.66 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -104.49 143.84 32.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HD2' ' HG3' ' A' ' 87' ' ' GLU . 99.4 mttt -109.55 146.22 35.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' HB ' HG12 ' A' ' 66' ' ' ILE . 3.3 t -128.84 116.94 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.326 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.491 HD12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -104.95 106.09 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.803 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.18 103.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 91' ' ' LEU . 14.2 p -116.92 151.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.033 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.442 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 166.41 82.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.819 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.498 ' N ' HG23 ' A' ' 104' ' ' THR . 24.7 t 60.26 -84.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 111.265 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.43 -48.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.089 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.6 86.08 0.38 Allowed Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.339 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 93' ' ' PHE . 85.2 t -129.23 -62.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.745 0.307 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.21 44.35 0.04 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.376 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 73.0 mttt -56.52 -47.85 78.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.0 0.429 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -55.89 -29.79 60.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.3 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.11 -52.93 63.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.082 -179.081 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.465 HD21 HG13 ' A' ' 92' ' ' VAL . 1.3 mm? -63.22 -25.02 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 28' ' ' SER . 28.6 m -67.56 -43.5 80.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.682 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.05 -47.68 57.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.809 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HB2' HG11 ' A' ' 165' ' ' VAL . 9.1 mm100 -58.79 -34.84 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.891 0.376 . . . . 0.0 111.012 -179.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -72.64 -29.23 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.712 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 tpp -82.69 -49.7 9.51 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -115.14 9.42 15.86 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.7 p30 41.72 36.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' HE22 ' A' ' 33' ' ' GLN . 38.3 tt0 -146.97 138.41 24.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.719 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' H ' HH11 ' A' ' 162' ' ' ARG . 62.5 t80 -84.39 105.86 15.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.65 140.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -89.58 132.16 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -147.67 -31.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.2 t80 58.95 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.86 111.99 65.26 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.92 127.37 17.6 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.402 2.068 . . . . 0.0 112.231 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -117.15 118.27 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.11 -45.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.341 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.69 -10.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.22 127.85 33.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 76.3 p -109.35 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -108.51 160.1 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.577 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -149.33 140.08 22.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -158.8 141.01 13.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.835 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -96.65 115.63 27.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.79 149.07 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.9 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.412 HD21 ' SD ' ' A' ' 173' ' ' MET . 67.1 tp -146.25 115.47 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 57.3 30.93 19.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.61 -32.82 5.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.668 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.21 124.02 35.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.6 tt0 -87.15 120.29 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.75 147.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.82 140.22 34.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -116.84 139.43 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.4 113.33 13.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.432 HG12 ' HB ' ' A' ' 17' ' ' VAL . 77.3 mt -107.93 145.81 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.06 114.53 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.62 136.95 45.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.682 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -107.68 -20.15 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.383 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.75 -168.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 179.85 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.515 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 121.096 0.474 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -65.66 -52.84 48.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -57.39 -31.22 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.316 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 27.3 m-80 -52.28 -38.52 58.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.566 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.96 -41.42 95.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.347 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' HB3' HG22 ' A' ' 114' ' ' VAL . 71.2 m-85 -67.95 -33.01 73.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.274 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -79.41 -11.89 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.3 m -98.74 13.85 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.491 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -134.41 -177.04 14.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.898 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 44.4 mt-10 -122.53 -56.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.672 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.94 160.22 22.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.223 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -130.89 139.95 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -127.9 105.1 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.762 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD22 ' HB ' ' A' ' 104' ' ' THR . 14.4 tp -82.93 124.32 30.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.465 HG13 HD21 ' A' ' 30' ' ' LEU . 21.9 t -137.07 107.79 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.46 -179.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.609 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.3 p90 -114.88 168.55 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.658 179.195 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.426 ' H ' ' HG ' ' A' ' 94' ' ' SER . 1.3 p -104.11 139.41 39.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 26.9 pt -72.36 -39.0 62.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 40.3 p -65.37 -22.93 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.534 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -109.84 95.64 5.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.849 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -62.61 -15.62 52.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.81 -26.85 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.478 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' THR . 80.1 p -73.33 -54.78 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.903 -178.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -51.92 -34.61 42.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.754 -179.339 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.9 p -73.13 -54.21 9.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.94 93.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.201 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.609 HG21 ' HB3' ' A' ' 93' ' ' PHE . 28.9 p -52.57 -31.44 36.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.183 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.65 -47.15 79.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.764 -179.248 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.89 -39.82 72.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 111.491 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.508 ' HA ' HE21 ' A' ' 110' ' ' GLN . 21.6 m-85 -54.62 -23.87 18.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.404 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -47.44 -44.18 24.65 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.114 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 43.5 mt-10 -70.4 -46.71 63.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.597 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 107' ' ' PHE . 48.1 mt-30 -56.31 -36.77 69.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.658 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.8 mt -59.26 -46.93 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.76 -27.55 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 60.2 mtp180 -55.32 -50.92 68.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 83' ' ' PHE . 9.3 m -69.84 -19.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.647 -179.491 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.4 mmtt -117.83 39.41 3.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.58 61.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.391 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -100.79 -1.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.204 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 23.9 mm-40 -106.29 151.91 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.73 -62.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -84.67 121.08 27.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.0 mm -114.98 105.35 53.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.76 128.29 28.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.406 2.071 . . . . 0.0 111.982 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 56.3 tp -148.98 159.06 44.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 90' ' ' LEU . 55.9 tp -166.34 123.63 1.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.86 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.504 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -99.01 141.78 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.439 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.496 HG12 HG11 ' A' ' 168' ' ' VAL . 21.4 t -144.84 151.89 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.757 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -124.2 110.87 1.5 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.102 179.608 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -82.45 -167.68 1.69 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.411 ' HG2' ' OG1' ' A' ' 96' ' ' THR . 10.4 tppt? 58.77 16.54 4.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 54.5 m -64.97 -8.16 14.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.11 -8.37 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.287 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 135' ' ' ARG . 32.9 mt -117.01 80.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.509 ' HG2' HH22 ' A' ' 136' ' ' ARG . 42.3 mt-10 -71.79 -22.92 61.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.58 -9.08 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HD3' HD12 ' A' ' 132' ' ' LEU . 45.9 mtp180 -115.78 1.15 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.31 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.509 HH22 ' HG2' ' A' ' 133' ' ' GLU . 41.7 ttm180 -64.92 113.19 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -87.61 -29.66 21.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.0 t -100.36 105.48 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.48 124.97 17.43 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.905 1.737 . . . . 0.0 111.392 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.52 -43.86 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.198 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.4 -48.25 79.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.29 -36.28 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.0 -28.83 67.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 99.3 mtt180 -64.19 -48.99 73.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -62.92 -48.72 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.855 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.8 73.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -53.36 -31.62 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -50.89 -49.03 60.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -71.9 -16.82 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.05 14.69 28.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.055 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.25 -176.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.187 0.518 . . . . 0.0 111.393 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.64 132.78 51.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.662 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.504 ' HD1' HG23 ' A' ' 125' ' ' VAL . 40.4 t80 -95.23 139.58 31.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.028 0.442 . . . . 0.0 111.358 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.32 152.97 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -92.63 141.07 28.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.467 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 54.8 p -146.12 158.29 43.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.997 0.427 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.425 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 69.3 m -134.42 108.97 8.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.433 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.4 -18.41 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.503 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -79.11 -25.54 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 72.4 p -101.37 -21.02 14.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.289 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.578 HH11 ' H ' ' A' ' 39' ' ' PHE . 8.6 mtm180 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.36 -56.17 4.66 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -111.04 19.46 18.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 33' ' ' GLN . 58.1 t -67.3 -49.55 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 0.0 110.954 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.77 -16.08 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.747 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -64.63 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.496 HG11 HG12 ' A' ' 126' ' ' VAL . 4.0 m -81.3 -26.64 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.585 -179.334 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -73.37 -44.66 58.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -71.82 -32.59 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -67.09 -49.36 65.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.12 -32.5 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.412 ' SD ' HD21 ' A' ' 57' ' ' LEU . 40.6 ttm -59.31 -44.36 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -63.68 -34.14 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.12 -40.01 94.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.305 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.2 mt -66.68 -34.67 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.515 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 181' ' ' MET . 70.9 mtp180 -75.55 -40.45 56.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.711 0.291 . . . . 0.0 111.624 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -87.34 -58.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -67.12 -54.36 22.11 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 85.3 tttt -61.62 -50.79 71.16 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -66.71 -13.8 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.884 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.85 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.95 106.85 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.008 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -105.25 128.41 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 59.2 mttp -103.65 134.22 47.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 0.0 111.54 -179.392 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -118.43 131.14 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.865 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.53 112.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.503 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 3.6 mmt -61.28 98.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.005 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.6 p -104.57 154.99 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.539 179.439 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 178.98 -161.12 27.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.707 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 55.1 p -62.07 -49.1 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.689 -179.832 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . 151.86 -10.61 0.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.496 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.16 85.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' ' 93' ' ' PHE . 29.0 m -135.33 -8.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 179.597 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.1 43.66 2.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.815 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 49.8 mtmt -59.35 -43.54 92.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.531 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.2 p -58.22 -29.1 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.97 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.67 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.766 -179.235 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 1.8 mm? -59.93 -25.25 65.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 28' ' ' SER . 22.5 m -74.15 -40.76 62.37 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.689 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.811 -179.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -74.39 -38.43 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -72.94 -37.14 67.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.737 0.303 . . . . 0.0 111.49 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 98.2 mmm -82.59 -50.13 9.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.25 -22.11 12.72 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 61.01 57.23 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.067 0.461 . . . . 0.0 110.246 -179.127 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -157.56 133.09 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.631 -179.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -94.34 106.08 18.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -152.73 150.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.17 106.83 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -163.25 138.91 6.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.54 153.23 50.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.0 125.9 8.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.58 149.18 68.81 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.396 2.064 . . . . 0.0 112.213 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 m -127.26 126.12 42.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.02 -51.96 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.0 -0.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -85.7 130.64 34.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.7 t -127.5 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 39.7 m-85 -107.9 146.49 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.763 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -144.97 138.66 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 111.064 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' HZ2' HG12 ' A' ' 55' ' ' VAL . 6.4 ptmm? -151.97 144.83 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 34.0 mtmm -92.66 125.59 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.543 HG12 ' HZ2' ' A' ' 53' ' ' LYS . 22.5 m -143.26 141.27 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.716 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.0 p -73.1 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -142.93 105.75 4.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 56.82 30.91 18.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.72 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.14 3.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.66 113.76 26.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.6 tt0 -79.71 115.24 19.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.911 179.765 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.04 141.25 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.5 mt-30 -81.16 138.1 35.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -111.5 130.06 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.6 t70 -110.93 113.91 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.571 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.472 HG21 HG22 ' A' ' 31' ' ' THR . 73.0 mt -104.19 122.74 57.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 111.438 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.74 106.07 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.267 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.3 122.05 14.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.5 p -123.92 155.09 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.65 -178.29 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.942 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.036 179.699 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -57.04 -53.79 54.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -55.62 -34.46 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -62.78 -34.72 77.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.242 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -78.46 -34.13 47.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -74.93 -19.6 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -83.01 -24.33 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.124 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 t -73.22 -3.49 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.67 165.28 22.25 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.394 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -103.26 -44.51 5.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.6 166.5 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.449 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.28 141.31 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.45 108.74 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.58 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD22 ' HB ' ' A' ' 104' ' ' THR . 7.3 tp -82.65 132.13 35.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.841 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.31 133.83 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HA ' HG12 ' A' ' 25' ' ' VAL . 13.1 p90 -145.29 156.16 43.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.641 178.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 t -95.97 145.91 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.525 HG12 ' HB3' ' A' ' 129' ' ' LYS . 10.6 pt -77.17 -36.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -67.88 -13.44 62.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.944 0.402 . . . . 0.0 110.612 179.479 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -121.34 93.5 4.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.56 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -61.7 -16.42 48.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.391 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.96 -26.97 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -69.95 -51.89 28.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.192 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -53.45 -40.09 64.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.225 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -72.69 -53.71 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.035 -179.423 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -35.83 74.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.633 ' HB ' HD22 ' A' ' 91' ' ' LEU . 7.9 p -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.87 68.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.66 -45.11 72.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.12 -23.85 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.88 179.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -48.07 -56.2 8.34 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.453 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.39 -35.6 73.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.444 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.08 -30.02 63.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.061 0.458 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.51 -35.85 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.659 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.48 -25.37 65.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -50.32 -51.3 46.57 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.549 HG22 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -62.72 -35.58 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.549 ' HG2' HG22 ' A' ' 114' ' ' VAL . 66.9 mmtt -109.93 59.7 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -46.12 33.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.688 -179.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.64 -34.26 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.032 0.444 . . . . 0.0 110.018 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 54.05 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.582 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -119.85 -54.83 2.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.06 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HD2' ' HG3' ' A' ' 179' ' ' LYS . 73.4 mmtt -151.58 86.84 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.18 112.2 55.22 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.216 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.89 127.82 15.03 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.458 2.105 . . . . 0.0 111.821 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.407 ' HB3' HG12 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -140.27 148.13 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.405 ' H ' HD22 ' A' ' 123' ' ' LEU . 26.3 tp -155.8 112.13 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.788 178.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 147' ' ' ALA . 2.5 p -90.19 137.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -178.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.533 HG12 HG13 ' A' ' 168' ' ' VAL . 16.1 t -144.55 144.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.06 124.31 5.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.971 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -91.64 -166.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.701 0.286 . . . . 0.0 110.515 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.2 tppt? 65.62 8.72 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -57.71 -12.66 3.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.53 -9.14 16.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.397 . . . . 0.0 110.594 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.1 mt -120.9 94.79 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.85 -48.01 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.0 -18.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.784 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.572 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.1 mtt180 -104.32 20.45 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.6 ttm180 -94.36 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.281 179.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -81.06 -38.19 27.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.69 111.5 51.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.65 133.38 45.03 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.122 1.881 . . . . 0.0 111.33 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.524 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -52.81 -44.69 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.5 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.01 -49.4 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 -179.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.19 -34.31 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.408 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.82 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.382 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 93.3 mtt180 -73.8 -41.24 62.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.336 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -61.35 -42.2 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.453 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.513 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.3 tmmm? -74.92 -48.58 23.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.527 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -56.35 -37.9 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.433 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.45 -31.27 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.1 -47.26 61.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 37.5 m0 -64.02 -19.2 65.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.1 13.23 37.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.998 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 150' ' ' TRP . 12.7 m -114.83 -178.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.12 0.486 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -121.18 129.37 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.063 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG23 ' A' ' 125' ' ' VAL . 26.7 t80 -95.46 139.87 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.587 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.6 152.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.422 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.99 148.13 23.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.336 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.2 p -151.72 166.49 31.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 0.0 111.79 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -139.14 112.81 8.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.184 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.05 -4.56 4.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.426 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -96.9 -55.51 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.04 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 59.2 p -76.87 -9.18 58.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? 35.17 39.06 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.964 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.45 -55.52 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.05 15.93 25.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.571 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -66.66 -43.37 90.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -73.07 -15.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.203 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.79 -34.11 71.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.512 -179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 126' ' ' VAL . 3.2 m -71.84 -30.53 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.777 0.323 . . . . 0.0 111.255 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.15 -44.73 45.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.236 -179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -72.32 -36.75 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.56 -47.29 82.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.88 -32.48 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.53 -46.28 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.2 -34.64 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 23.8 mm-40 -64.3 -30.85 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 99.0 mt -72.64 -51.41 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.292 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.7 ptm180 -67.11 -23.26 65.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.662 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.7 m -88.07 -59.58 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 179' ' ' LYS . 0.5 OUTLIER -71.03 -55.85 7.4 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.494 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.05 -59.94 4.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -55.14 -19.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.155 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 179.94 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.578 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 5.7 mp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.03 176.8 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.751 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.61 106.13 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -107.59 146.06 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 68.1 mttm -124.76 117.03 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -101.82 116.23 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.629 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.536 HD13 ' HA3' ' A' ' 86' ' ' GLY . 36.6 mm -85.7 128.58 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.606 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -84.11 93.17 8.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.8 p -114.05 156.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.455 179.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.627 ' HA2' HD21 ' A' ' 91' ' ' LEU . . . 158.87 86.92 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.155 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB2' HG22 ' A' ' 104' ' ' THR . 27.6 t 59.24 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.956 0.407 . . . . 0.0 111.045 179.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 174.33 -87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.015 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.13 67.88 3.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.982 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 93' ' ' PHE . 96.5 t -114.21 -46.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.432 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.13 33.83 0.4 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.331 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 46.4 mtmt -55.4 -31.51 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.4 p -68.78 -30.16 68.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.761 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.3 -52.31 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.876 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 165' ' ' VAL . 2.9 mm? -57.12 -25.14 58.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.272 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.7 m -74.19 -50.48 19.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.88 -38.55 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.275 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 11.9 mm100 -64.81 -40.46 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.378 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.87 -30.78 64.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' THR . 96.6 mmm -80.3 -49.27 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.64 -7.87 14.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 27.4 t70 56.03 45.17 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 109.908 -179.405 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.552 ' HA ' HH11 ' A' ' 162' ' ' ARG . 9.5 tp10 -154.37 131.59 11.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.03 -179.348 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -85.86 105.86 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.8 p -118.05 142.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.7 -36.88 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.1 t70 -64.12 137.46 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.83 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -121.39 162.3 20.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.73 100.53 19.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.96 139.56 47.56 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.411 2.074 . . . . 0.0 112.267 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.3 m -86.4 145.15 26.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -135.39 -41.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.45 -3.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.71 137.47 33.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 m -109.31 156.13 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -110.58 155.7 21.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -148.89 150.89 33.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -166.06 154.17 10.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -115.77 127.79 55.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.22 159.8 28.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.41 141.62 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' SD ' ' A' ' 173' ' ' MET . 56.0 tp -140.55 99.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.681 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.91 30.87 16.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.35 -36.37 4.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -79.57 128.36 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.022 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -100.61 114.33 27.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.993 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.38 157.37 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.005 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.12 141.71 28.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 tt -117.69 144.04 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.729 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.573 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 9.2 t70 -135.99 121.8 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.027 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -106.81 126.31 62.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 68' ' ' ASP . 3.0 tm? -128.79 135.46 49.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.515 ' N ' HD12 ' A' ' 67' ' ' LEU . 24.4 t70 65.81 121.69 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.308 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.415 ' HB ' ' HA ' ' A' ' 28' ' ' SER . 75.1 p -135.22 14.05 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.31 164.95 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.923 0.392 . . . . 0.0 111.394 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.496 ' HA2' ' HZ2' ' A' ' 27' ' ' LYS . . . . . . . . 0 C--N 1.331 0.267 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.565 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.0 0.428 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -59.77 -36.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.174 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.39 -33.07 71.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.53 -34.47 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.35 -46.68 39.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.363 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG23 ' A' ' 114' ' ' VAL . 68.1 m-85 -62.87 -24.35 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.73 -39.24 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.0 p -73.15 -1.17 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.032 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.536 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -112.09 175.12 16.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.681 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -119.78 -50.5 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.01 169.95 23.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.976 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -139.84 138.64 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.057 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 168' ' ' VAL . 4.2 tp -130.2 103.93 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD21 ' HA2' ' A' ' 21' ' ' GLY . 3.2 tm? -85.79 125.85 33.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.44 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.49 135.34 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.799 0.333 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -138.09 150.8 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.722 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 m -89.06 134.66 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 42.4 pt -67.7 -31.85 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -25.43 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.68 99.56 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.034 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -62.79 -16.46 58.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.69 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.59 -27.76 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p -70.57 -53.72 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.74 -39.32 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.9 p -73.05 -53.84 10.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.432 -179.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.36 80.59 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.332 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 93' ' ' PHE . 19.6 p -55.18 -31.37 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.171 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.239 -179.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.0 -40.64 98.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.751 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.99 -25.46 66.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -50.7 -44.33 57.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.929 0.395 . . . . 0.0 110.672 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 40.7 mt-10 -70.84 -42.04 70.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.068 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -56.28 -36.77 68.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.131 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.4 mt -59.0 -47.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.0 -29.97 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 56.2 mtp180 -60.95 -51.03 70.97 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 111.673 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 83' ' ' PHE . 5.3 m -66.98 -13.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.557 -179.661 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.7 mmtt -124.18 28.69 6.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.759 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.58 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.41 -25.75 38.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.731 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.34 -178.26 7.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -126.0 -59.98 1.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -81.98 112.15 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.63 104.32 54.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.75 131.14 24.99 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.319 2.013 . . . . 0.0 112.157 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.0 tp -143.17 158.8 43.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 172' ' ' LEU . 26.3 tp -166.42 120.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.066 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 91' ' ' LEU . 3.3 p -100.98 143.68 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.978 -178.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.529 HG21 ' HB ' ' A' ' 168' ' ' VAL . 87.7 t -143.47 146.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.97 130.08 9.85 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.245 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -94.57 -174.32 3.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.689 0.28 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 57.24 16.98 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.395 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 m -59.06 -14.69 10.56 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.312 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.44 3.92 5.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.974 0.416 . . . . 0.0 110.725 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.3 mt -128.08 54.56 1.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.748 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.0 -11.26 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.57 -21.1 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.275 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -128.25 18.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.694 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.5 ttm180 -62.02 108.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -74.73 -33.54 62.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.684 -179.295 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 63.0 t -96.89 106.95 34.24 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.383 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.76 132.63 52.91 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.293 1.995 . . . . 0.0 111.791 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -57.38 -39.82 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -64.29 -40.32 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.19 -28.2 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.16 -52.87 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.786 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 74.5 mtt180 -54.6 -45.68 73.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.33 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -56.93 -31.55 65.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.99 0.424 . . . . 0.0 110.498 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -75.03 -48.37 24.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 179.614 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.423 ' HB3' HG22 ' A' ' 152' ' ' VAL . . . -54.42 -43.35 71.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.475 -179.341 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.28 -32.62 56.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.266 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.4 -47.94 62.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -72.63 -21.4 61.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.73 26.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.963 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 147' ' ' ALA . 27.3 m -112.7 173.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.117 0.484 . . . . 0.0 111.198 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -116.46 130.31 56.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.665 178.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.488 ' HD1' HG23 ' A' ' 125' ' ' VAL . 21.9 t80 -94.84 135.55 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.025 0.441 . . . . 0.0 111.177 -179.39 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.27 146.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -89.66 133.66 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.195 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.3 p -143.22 148.32 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.002 0.43 . . . . 0.0 111.45 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 p -123.5 107.82 11.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.775 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.58 -13.74 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -70.19 -40.1 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.344 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 69.8 p -99.85 -13.01 19.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.552 HH11 ' HA ' ' A' ' 38' ' ' GLU . 5.8 mtm180 50.56 34.26 9.29 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.52 -55.8 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -110.95 14.02 22.06 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 168' ' ' VAL . 7.6 p -66.01 -41.65 90.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.383 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.34 -19.93 60.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.614 178.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.36 -36.66 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.214 -178.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.565 HG23 HD11 ' A' ' 90' ' ' LEU . 13.0 p -71.2 -34.12 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.553 -179.088 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 168' ' ' VAL . 57.5 m-85 -70.72 -41.87 71.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.53 -36.76 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.462 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.51 -53.89 12.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.174 -179.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.403 ' HB2' HD22 ' A' ' 124' ' ' LEU . 69.9 tp -58.77 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.23 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.411 ' SD ' HD21 ' A' ' 57' ' ' LEU . 41.8 ttm -57.32 -47.87 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.308 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.22 -37.32 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.4 -39.3 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.713 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 57.4 mt -62.7 -35.42 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 181' ' ' MET . 43.6 mtm180 -75.84 -47.54 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.6 m -87.44 -59.2 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.9 -54.06 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -60.28 -56.3 23.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.4 mmt -62.16 -18.64 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.832 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.609 ' H3 ' HD22 ' A' ' 12' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.426 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -95.25 160.39 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 tp -124.62 107.68 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -108.55 145.84 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.9 mttt -118.89 137.17 53.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.35 . . . . 0.0 111.335 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.28 132.92 67.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.107 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -113.54 111.57 36.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 3.5 mmt -63.8 97.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.28 157.17 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 175.5 -164.41 34.74 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.387 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 t -59.58 -32.57 70.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.788 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.87 -17.41 1.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.808 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' A' ' 26' ' ' GLY . . . -148.47 -109.95 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 179.711 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.2 t 70.04 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.459 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 109.3 37.67 1.92 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.646 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 8.9 ptpp? -57.32 -30.2 64.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.3 p -69.45 -29.46 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.974 179.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.16 -52.57 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.737 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.53 -25.12 65.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 66' ' ' ILE . 44.8 m -70.49 -39.79 73.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.362 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.56 -44.68 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.608 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 9.8 mm100 -58.26 -38.12 76.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 111.281 -179.346 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -73.13 -25.89 61.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.602 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.3 tpp -82.45 -50.12 9.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -123.09 -7.5 8.31 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.2 t70 59.48 59.86 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.086 0.47 . . . . 0.0 110.356 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HA ' HH11 ' A' ' 162' ' ' ARG . 34.6 tt0 -162.5 127.38 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.978 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -90.91 111.83 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.47 149.73 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.98 96.14 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -161.53 126.4 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -137.9 148.94 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -141.7 130.52 12.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.01 147.88 71.96 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.7 m -130.08 127.75 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -119.14 -34.01 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.1 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.407 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.98 134.95 35.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -127.67 174.34 9.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -113.7 155.79 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -140.45 152.42 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -164.51 170.25 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.659 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -119.15 133.3 55.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.308 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG23 ' HE3' ' A' ' 173' ' ' MET . 25.8 m -143.56 141.33 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.939 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.3 p -92.34 137.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.005 0.431 . . . . 0.0 111.44 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.33 103.08 8.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 43.54 31.17 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.802 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.03 -48.11 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.054 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -87.59 117.01 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 111.502 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.1 tt0 -86.13 122.98 30.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 13' ' ' ALA . 33.6 m -130.14 139.51 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -83.96 161.63 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.219 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.22 144.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.1 t70 -120.52 118.91 31.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.54 HG23 HG23 ' A' ' 31' ' ' THR . 47.9 mt -103.6 124.05 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.094 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -99.86 118.9 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.2 110.0 14.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.3 p -101.13 178.76 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.64 -163.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.166 179.479 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -64.15 -34.19 77.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.282 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.0 -30.83 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.981 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.2 -38.15 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.528 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.53 -46.41 76.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -179.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' HB2' HG12 ' A' ' 114' ' ' VAL . 37.9 m-85 -61.98 -38.27 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -74.31 -11.02 60.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -94.08 9.46 37.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 -175.77 14.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.627 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -122.26 -32.92 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.7 169.68 13.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.46 141.43 47.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.69 105.78 8.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 104' ' ' THR . 8.4 tp -81.76 128.42 33.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.335 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 t -133.86 128.34 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.031 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.0 p90 -144.32 153.41 41.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.593 178.666 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 t -94.6 150.0 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.387 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.41 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 24.4 pt -74.68 -37.46 43.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.9 p -66.84 -26.46 66.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -104.53 89.52 3.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.74 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.94 -16.64 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.46 -26.41 60.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.9 m -70.1 -53.52 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.565 -179.241 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -51.64 -38.97 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 0.0 111.736 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.6 p -72.73 -53.85 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.289 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.07 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.551 -179.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.605 ' HB ' HD13 ' A' ' 91' ' ' LEU . 13.5 p -55.18 -31.5 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.92 78.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -36.27 79.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.703 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -70.05 -25.72 63.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -48.98 -54.56 15.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.86 -34.55 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -65.19 -24.54 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.06 -47.28 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.242 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.04 -27.36 66.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.9 mmp_? -63.07 -49.59 73.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 83' ' ' PHE . 3.3 m -69.28 -12.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.454 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -123.61 43.27 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.19 -15.26 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.276 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.96 -25.2 16.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.03 163.41 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -115.55 -17.0 11.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -143.19 105.34 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.26 113.65 64.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.443 ' HG3' HG12 ' A' ' 176' ' ' ILE . 46.2 Cg_endo -67.74 123.44 10.74 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.29 1.993 . . . . 0.0 112.155 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -128.01 157.0 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 tp -159.46 124.36 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 179.553 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.488 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.5 p -104.59 143.94 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.956 0.408 . . . . 0.0 111.756 -178.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -143.52 154.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.083 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.05 105.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.84 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.59 -171.14 3.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.693 0.282 . . . . 0.0 110.402 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 129' ' ' LYS . 10.2 tptm 62.69 15.46 8.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.639 -179.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.9 m -63.82 -8.49 10.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.61 -9.75 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.1 mt -116.89 87.67 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.968 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.15 -28.16 62.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.93 -6.47 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.334 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.1 mtt180 -117.92 14.92 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.25 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.41 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.0 ttm180 -82.66 110.47 17.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.51 -34.05 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.97 108.27 57.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.75 135.9 69.32 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.141 1.894 . . . . 0.0 111.318 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -50.06 -42.71 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.396 -179.456 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.35 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.357 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.67 -36.42 71.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.0 mtt180 -66.62 -44.11 82.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.111 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -58.8 -39.45 81.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.536 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -76.57 -42.24 43.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.016 -179.5 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.64 80.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.999 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -53.9 -32.3 52.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.888 -179.176 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -52.23 -38.18 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 111.179 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.405 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 20.3 m0 -78.74 -18.44 54.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.99 21.44 11.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.123 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.47 177.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.028 0.442 . . . . 0.0 111.456 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -120.92 130.09 53.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.788 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.488 ' HD1' HG22 ' A' ' 125' ' ' VAL . 25.4 t80 -95.25 141.19 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.326 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.35 154.05 29.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.222 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -89.93 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.2 p -151.23 170.03 20.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.487 -179.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -148.64 113.95 5.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.671 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.33 -3.11 12.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -91.95 -37.77 12.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 80.7 p -94.87 -19.04 20.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.434 HH11 ' HA ' ' A' ' 38' ' ' GLU . 7.6 mtm180 50.56 32.13 6.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.349 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.97 -56.26 4.63 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.81 21.75 15.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 168' ' ' VAL . 2.9 p -66.52 -43.14 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.76 -14.71 61.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -58.94 -39.21 80.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.673 -179.237 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 35.6 m -75.63 -26.83 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.207 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -73.95 -47.38 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.217 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.59 -44.91 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.308 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.78 -52.37 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.014 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.93 -34.67 73.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.448 ' HE3' HG23 ' A' ' 55' ' ' VAL . 50.4 ttm -58.61 -47.24 84.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.5 -34.03 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.21 -36.28 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.443 HG12 ' HG3' ' A' ' 122' ' ' PRO . 67.6 mt -69.71 -52.6 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 181' ' ' MET . 52.2 mtp180 -55.86 -38.03 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.015 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 81.5 m -87.09 -58.57 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -69.7 -53.5 18.23 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.36 -35.17 79.5 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -81.98 -12.72 58.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.228 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 120.702 0.287 . . . . 0.0 111.014 -179.766 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.55 129.88 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.4 108.56 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.7 114.58 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -93.89 141.17 28.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.13 139.22 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.2 mm -113.19 130.8 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.505 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -82.49 96.23 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.681 179.479 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 91' ' ' LEU . 8.6 p -101.13 157.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 179.43 -167.01 36.75 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.724 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -61.08 -46.42 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.07 18.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.479 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.23 65.5 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 93' ' ' PHE . 13.6 t -126.14 -40.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.699 0.285 . . . . 0.0 111.297 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.32 38.16 0.23 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 7.7 mtmp? -59.8 -36.03 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -71.82 -30.09 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.203 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.33 -52.89 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.895 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 97.2 m -68.53 -46.44 69.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.277 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.04 -32.44 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.7 mm100 -61.82 -34.96 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -72.99 -27.87 62.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.553 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 tpp -82.6 -49.48 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -108.23 -10.45 15.38 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -177.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.37 28.2 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -143.28 152.09 41.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.999 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -94.64 120.91 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG11 ' H ' ' A' ' 42' ' ' ASP . 20.1 t -126.89 148.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.011 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.6 9.1 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.522 ' H ' HG11 ' A' ' 40' ' ' VAL . 7.9 m-20 -101.66 148.94 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -141.71 165.59 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.79 128.02 15.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.87 156.97 21.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.334 2.023 . . . . 0.0 112.154 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.411 HG21 ' H ' ' A' ' 69' ' ' THR . 91.7 m -131.47 114.27 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' ' HZ2' ' A' ' 47' ' ' LYS . 6.3 ttpm? -117.01 -40.75 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.26 0.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 132.96 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.473 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -122.2 172.8 8.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -115.5 154.56 29.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -135.73 137.79 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.41 . . . . 0.0 110.934 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -147.74 154.37 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 36.5 mtmm -118.68 120.84 38.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.73 147.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.003 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -81.66 143.82 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.509 HD22 HH11 ' A' ' 177' ' ' ARG . 61.2 tp -135.34 104.56 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.22 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 53.89 31.08 12.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.17 -42.13 2.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.602 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -91.25 118.15 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.8 tt0 -85.63 131.43 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.66 148.45 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.032 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.8 mt-30 -81.26 138.64 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -118.89 137.94 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.366 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.2 123.37 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.678 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 HG21 HG22 ' A' ' 31' ' ' THR . 58.3 mt -110.2 141.99 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.5 OUTLIER -129.28 114.28 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.126 179.705 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -54.41 -53.38 54.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.994 -179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.411 ' H ' HG21 ' A' ' 46' ' ' THR . 23.1 m 75.03 -38.6 0.38 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.916 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.89 -174.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.059 179.512 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -53.78 -48.39 69.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.91 -31.76 60.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.92 -44.97 94.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.78 -49.95 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 -179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -62.91 -23.25 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.409 ' HB2' HG11 ' A' ' 114' ' ' VAL . 54.4 ttp180 -84.24 -28.77 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -55.51 -38.47 69.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.58 159.0 14.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.657 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -96.75 -14.48 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.22 158.05 15.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.683 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -136.14 134.31 38.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 124' ' ' LEU . 18.7 mt -129.12 102.18 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -84.11 123.17 29.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.567 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -129.03 137.54 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 111.625 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HA ' HG21 ' A' ' 25' ' ' VAL . 8.4 p90 -146.65 152.69 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.391 178.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.444 ' OG ' HG11 ' A' ' 25' ' ' VAL . 73.7 m -87.55 135.19 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.303 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.12 -36.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.706 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.0 t -71.18 -22.94 61.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG3' HG23 ' A' ' 96' ' ' THR . 46.6 mt-10 -108.3 93.05 4.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.36 -16.23 53.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.071 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.13 -26.89 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.362 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -70.71 -51.98 23.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.337 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.53 -39.21 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.4 -53.64 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.891 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD12 ' A' ' 91' ' ' LEU . 11.8 p -60.62 -31.71 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.15 0.5 . . . . 0.0 110.462 179.385 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.2 79.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.08 -42.9 99.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.61 -27.63 69.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.24 -43.19 74.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.66 -30.12 66.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.023 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.81 -25.95 62.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.4 mt -58.2 -38.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.326 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.48 -26.15 65.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -51.7 -51.22 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.569 HG21 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -62.91 -38.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.029 0.443 . . . . 0.0 110.465 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG2' HG21 ' A' ' 114' ' ' VAL . 25.4 mmtp -99.76 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.42 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.91 -37.6 6.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.504 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.13 -44.35 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.123 0.487 . . . . 0.0 109.794 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 60.04 111.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.068 179.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . 0.496 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 12.0 m-20 -149.58 -68.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.691 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.496 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 2.9 mptp? -136.92 82.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.491 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.08 114.4 57.02 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.073 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.49 119.5 6.54 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.355 2.037 . . . . 0.0 111.811 179.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.2 tp -143.23 161.38 38.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.422 ' HB3' HD22 ' A' ' 90' ' ' LEU . 59.9 tp -168.85 127.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.503 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -98.7 142.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.086 0.47 . . . . 0.0 111.603 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 168' ' ' VAL . 19.2 t -143.87 139.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.702 179.512 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.74 129.27 9.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.286 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.9 -166.65 1.41 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 132' ' ' LEU . 74.5 mmtt 59.72 21.51 10.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -57.62 -30.69 65.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.83 -21.59 43.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.04 0.448 . . . . 0.0 110.403 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.505 HD13 ' HD2' ' A' ' 135' ' ' ARG . 43.1 mt -93.84 66.38 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.59 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.8 -13.97 62.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.83 -12.63 30.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.505 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.1 mtt180 -107.48 -6.68 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.91 108.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.689 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.57 -17.73 15.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.82 100.64 13.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.66 139.29 89.76 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.198 1.932 . . . . 0.0 111.696 179.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 89.0 t -53.93 -47.89 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.617 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.48 -42.02 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.703 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.96 -31.21 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.695 0.283 . . . . 0.0 111.325 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.35 -31.06 60.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.452 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 42.5 mtt180 -77.57 -33.68 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -66.23 -53.6 35.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.262 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.61 99.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.33 77.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.586 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.32 -32.74 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.0 -41.52 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -69.26 -29.2 67.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.8 32.25 2.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.8 177.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.654 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -120.82 137.8 54.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.95 179.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.503 ' HD1' HG23 ' A' ' 125' ' ' VAL . 42.4 t80 -102.52 138.68 39.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.921 0.391 . . . . 0.0 111.363 -179.494 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.597 HG21 ' HZ2' ' A' ' 167' ' ' LYS . 4.7 p -135.67 154.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.56 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.1 135.73 33.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.501 HG21 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -149.48 162.37 40.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 111.542 -179.414 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -133.08 110.44 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.497 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.4 -3.55 6.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.66 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.27 -43.14 12.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.8 p -98.84 0.43 44.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.332 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? 33.5 47.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.195 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.2 -55.81 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.979 -179.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.501 ' HB2' HG21 ' A' ' 157' ' ' THR . 2.7 m-20 -112.04 6.89 19.55 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.439 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 168' ' ' VAL . 14.7 p -57.63 -41.31 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.86 -14.91 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.597 ' HZ2' HG21 ' A' ' 155' ' ' VAL . 1.0 OUTLIER -79.4 -31.28 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.881 -179.05 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 126' ' ' VAL . 3.9 m -71.13 -28.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.481 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -74.34 -43.39 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.79 -34.3 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.87 -45.58 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 175' ' ' GLU . 44.9 tp -72.77 -42.39 64.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 23.5 ttp -54.22 -36.44 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.73 -36.17 75.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.557 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -78.27 -25.15 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.37 -179.412 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.7 mt -65.1 -50.33 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.27 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.509 HH11 HD22 ' A' ' 57' ' ' LEU . 9.5 ptm180 -73.98 -24.05 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.6 m -88.35 -60.19 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -71.11 -54.42 11.17 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.9 tmtm? -61.54 -51.88 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.131 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.492 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -64.03 -13.92 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.498 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.284 . . . . 0.0 111.092 -179.866 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.594 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.49 174.3 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -134.86 123.21 23.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' HB3' HD11 ' A' ' 176' ' ' ILE . 34.5 m-70 -116.69 112.53 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -83.74 145.76 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.3 t -127.31 120.19 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.36 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.573 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.8 mm -99.07 108.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.963 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.558 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.1 tpt -70.98 92.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.0 p -104.32 159.49 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.323 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA2' HG21 ' A' ' 104' ' ' THR . . . 179.92 -164.12 31.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.549 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' HG21 ' A' ' 25' ' ' VAL . 17.8 t -59.68 -31.29 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.072 -179.779 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.88 22.75 5.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.348 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.39 39.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.23 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG21 ' HB3' ' A' ' 22' ' ' SER . 75.4 t -100.73 -45.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.333 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.63 38.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.181 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.9 mttt -53.45 -36.27 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -67.71 -30.41 69.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -52.07 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.019 -178.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 92' ' ' VAL . 2.3 mm? -62.56 -24.55 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.398 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.1 m -72.43 -48.12 43.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.773 -179.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.3 -33.5 69.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.81 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 165' ' ' VAL . 28.3 mm-40 -65.35 -32.69 74.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.983 0.42 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -73.49 -40.8 63.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.933 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.5 ttm -82.31 -49.75 9.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -99.86 -26.51 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.2 m-20 58.88 40.57 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.094 0.473 . . . . 0.0 110.021 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -144.79 128.3 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.957 -179.388 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -83.73 105.9 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.63 139.41 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -74.11 98.61 3.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.54 178.03 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -164.44 151.03 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.766 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.49 99.61 4.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.22 149.82 11.74 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.654 2.236 . . . . 0.0 112.686 -179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 68' ' ' ASP . 84.9 m -92.34 123.21 35.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.62 -69.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.034 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.74 6.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.295 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.56 136.44 32.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -114.57 157.47 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.763 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -101.47 152.68 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -144.06 132.84 22.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -149.29 144.57 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -95.8 116.3 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 HG23 ' HE2' ' A' ' 173' ' ' MET . 16.8 m -131.59 153.88 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.841 179.684 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.5 p -103.54 145.04 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.267 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 tp -150.2 123.62 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.2 30.89 17.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.587 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -29.3 5.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.445 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.16 115.75 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -74.23 117.09 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.46 143.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.39 159.11 24.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.185 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -130.58 137.86 55.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 13.7 t70 -137.53 113.56 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.159 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.04 129.61 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -133.84 137.88 45.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.512 ' HA ' HG23 ' A' ' 46' ' ' THR . 16.1 t70 68.42 129.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.278 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 9.8 t -154.38 -8.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 152.62 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.431 179.949 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.709 0.29 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -52.84 -36.09 58.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.42 -39.38 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.776 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -53.28 -35.32 59.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.206 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -67.52 -20.77 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.12 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -70.53 0.09 7.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.573 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -114.6 167.65 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.413 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -119.67 -49.11 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.56 159.35 28.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.404 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.72 129.0 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.4 mt -123.41 103.23 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD12 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -82.87 128.4 34.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.225 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 30' ' ' LEU . 61.1 t -131.16 140.36 48.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.995 -179.556 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 104' ' ' THR . 22.8 p90 -151.46 145.09 24.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.453 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' HG13 ' A' ' 25' ' ' VAL . 36.9 m -82.71 144.83 29.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.011 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.464 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 43.2 pt -76.02 -35.94 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.689 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.9 p -68.92 -12.23 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.829 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.48 98.39 6.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.98 -18.08 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.42 -26.5 60.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.142 0.496 . . . . 0.0 110.435 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.3 m -67.96 -54.05 21.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.858 -179.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -59.34 -35.26 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.549 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.5 p -71.84 -53.42 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.776 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.88 85.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 93' ' ' PHE . 7.9 p -57.96 -32.55 67.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.6 69.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.92 -45.48 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.609 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -59.48 -24.78 63.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -49.2 -48.39 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -36.17 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.28 -27.32 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.7 -43.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.446 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.58 -25.82 65.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.914 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -50.72 -50.99 54.01 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' A' ' 115' ' ' LYS . 6.6 m -69.53 -47.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.89 -179.292 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.496 ' HG2' HG22 ' A' ' 114' ' ' VAL . 73.7 mmtt -87.38 33.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.788 0.328 . . . . 0.0 111.072 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.83 57.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -96.62 -16.76 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -93.96 175.3 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.52 -48.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -82.78 120.57 25.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.5 mm -123.81 104.12 33.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 36.7 Cg_endo -65.38 105.94 0.79 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.166 1.911 . . . . 0.0 111.872 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 54.6 tp -127.64 159.86 33.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 -179.706 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.426 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 55.5 tp -167.92 124.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 154' ' ' TYR . 1.9 p -92.45 143.0 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 0.0 111.176 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.525 HG13 HG11 ' A' ' 168' ' ' VAL . 15.9 t -136.13 114.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.73 8.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.104 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -102.08 -176.31 3.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.704 0.288 . . . . 0.0 110.392 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.512 ' HZ2' HD11 ' A' ' 132' ' ' LEU . 3.2 mmmp? 55.54 21.21 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 63.6 m -66.26 -6.19 13.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.77 1.21 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.498 179.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.512 HD11 ' HZ2' ' A' ' 129' ' ' LYS . 50.1 mt -128.1 51.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.61 -12.48 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.35 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.97 -31.66 56.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.03 24.54 10.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.341 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.464 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -59.89 109.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -72.75 -31.46 64.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.74 99.54 22.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 131.96 48.79 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.163 1.909 . . . . 0.0 111.462 179.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.1 p -49.47 -46.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.486 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.453 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.6 mt-10 -54.41 -44.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.386 -179.363 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.78 -39.68 91.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.84 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 57.6 mtm180 -73.08 -37.73 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.685 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 40.8 t -66.11 -40.4 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.484 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.437 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -74.96 -46.91 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.043 -179.679 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.43 98.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.689 -179.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.63 -31.94 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 145' ' ' SER . 9.5 mm-40 -52.84 -45.47 67.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.553 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.437 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 12.4 m0 -66.91 -16.23 64.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 96.49 30.74 7.51 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.04 -176.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.379 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.63 128.6 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.468 ' HA ' HG13 ' A' ' 125' ' ' VAL . 26.2 t80 -96.09 134.84 38.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.16 153.32 37.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.41 138.49 31.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.6 p -145.27 152.84 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.576 -179.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 160' ' ' LYS . 50.3 m -122.22 110.19 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 179.29 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -0.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.775 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 158' ' ' SER . 87.5 tttt -99.69 -49.83 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.755 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.4 p -87.35 -3.74 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.402 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? 35.13 44.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.906 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.6 -55.84 5.02 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.55 15.78 22.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.2 p -68.55 -44.77 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -73.81 -15.43 61.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.337 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -75.17 -32.01 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.525 HG11 HG13 ' A' ' 126' ' ' VAL . 33.2 m -79.04 -26.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.207 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -71.43 -47.67 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.781 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.86 -29.7 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.38 -47.78 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.3 tp -71.69 -32.72 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.472 ' HE2' HG23 ' A' ' 55' ' ' VAL . 53.3 ttm -55.02 -39.09 68.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.7 -37.24 79.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.17 -27.15 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.448 HD11 ' HB3' ' A' ' 15' ' ' HIS . 95.0 mt -68.51 -54.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.819 0.342 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.436 ' HA ' ' HE2' ' A' ' 181' ' ' MET . 13.6 ptm180 -70.15 -27.7 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.7 m -89.42 -60.54 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.17 -54.45 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -59.07 -45.64 90.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.623 0.249 . . . . 0.0 111.669 -178.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 177' ' ' ARG . 43.3 mtt -64.32 -12.2 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.173 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.837 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.14 151.92 19.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -179.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -124.36 110.0 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.739 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.64 138.08 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.9 mttp -119.38 123.12 43.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -104.73 138.3 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 179.599 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -101.91 113.98 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.071 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 tpt -74.96 86.16 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.7 p -95.27 160.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 111.056 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.21 -171.44 43.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.374 -179.833 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 t -55.05 -44.22 74.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.753 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.06 -15.35 1.52 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.253 -179.805 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.34 68.58 0.13 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -117.93 -14.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 0.0 111.371 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.6 41.7 0.48 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HZ3' HG22 ' A' ' 69' ' ' THR . 51.6 mtmt -62.82 -52.38 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.81 179.858 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.479 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.3 p -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.297 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.24 -52.97 56.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.19 -25.06 66.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.0 m -70.28 -44.2 68.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.263 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.37 -39.6 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.506 HE21 ' HB3' ' A' ' 162' ' ' ARG . 13.9 mm100 -56.27 -38.33 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -72.72 -25.41 61.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.293 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.1 tpp -81.88 -49.63 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.0 -7.68 10.35 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -177.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.5 t70 59.84 33.42 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 110.406 -179.689 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.46 131.95 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.84 110.13 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 42' ' ' ASP . 44.9 t -108.73 139.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.23 -32.24 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.442 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.8 t70 -62.45 106.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -80.89 173.67 12.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -146.33 103.73 4.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 154.79 19.44 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.362 2.041 . . . . 0.0 112.041 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 69' ' ' THR . 44.9 m -94.87 137.45 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.278 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.8 -61.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.509 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.02 -22.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -74.5 132.83 42.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.771 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' HG ' ' A' ' 67' ' ' LEU . 17.1 m -123.68 174.93 7.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 50.1 m-85 -98.47 146.92 25.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -149.92 137.78 20.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -156.23 172.84 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -105.98 124.73 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.89 149.68 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -95.53 134.77 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.441 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.6 tp -135.67 113.7 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.549 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 54.83 31.32 15.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.16 -32.48 6.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.36 113.76 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.3 tt0 -80.13 124.22 28.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.484 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.36 147.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.87 136.27 34.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -112.66 134.99 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -119.08 120.96 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mt -119.56 128.3 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.375 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.408 ' HG ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -100.43 128.62 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 179.511 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.12 -50.04 49.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' HZ3' ' A' ' 27' ' ' LYS . 25.4 m 62.6 117.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.632 179.686 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.97 -170.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.366 179.853 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -64.26 -30.77 71.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.74 -31.3 71.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -51.03 -34.73 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.41 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -75.76 -35.37 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.817 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -83.21 -15.86 48.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -80.15 -40.09 28.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.702 0.287 . . . . 0.0 111.235 -179.433 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -90.6 14.01 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.32 158.98 13.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.824 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -107.85 -60.48 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 110.8 179.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -87.81 163.16 33.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.48 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -142.46 124.93 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' HB3' ' A' ' 124' ' ' LEU . 28.6 mt -118.41 102.55 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 179.567 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.581 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.3 tp -83.03 123.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.398 179.641 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.29 137.18 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 111.892 -179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 104' ' ' THR . 31.7 p90 -144.31 140.55 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.153 178.806 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 29.4 m -71.0 128.59 36.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.458 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 1.5 pp -63.26 -37.07 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.438 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 97' ' ' GLU . 8.0 t -74.21 -16.63 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 43.0 mt-10 -111.81 97.53 6.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.849 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.09 -16.29 59.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.41 -26.93 61.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.3 m -70.21 -45.78 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.099 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.32 -38.1 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -71.83 -53.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.51 -179.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.39 80.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.581 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.9 p -56.5 -37.68 70.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.9 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.15 66.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.482 -179.5 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.37 -45.57 75.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.7 -26.09 68.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 44.7 mt-10 -70.53 -39.72 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -57.13 -29.88 63.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.18 -48.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.36 -26.53 66.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 30.7 mmm180 -56.01 -50.29 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.539 HG21 ' HG2' ' A' ' 115' ' ' LYS . 7.8 m -72.94 -24.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.618 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.71 40.21 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.33 -9.8 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -98.16 -26.64 14.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.34 151.85 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -108.6 -32.91 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.5 96.51 10.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.652 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -108.89 104.7 55.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.49 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 37.5 Cg_endo -65.59 107.2 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.454 2.103 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HB3' HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -123.83 152.5 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.126 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 123' ' ' LEU . 53.9 tp -162.09 117.13 1.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.475 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.7 p -91.94 141.11 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.177 0.513 . . . . 0.0 111.576 -179.032 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.504 HG21 HG23 ' A' ' 168' ' ' VAL . 16.9 t -132.15 148.47 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.85 129.08 9.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.27 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -107.79 -178.34 3.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.431 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 30.1 mmmt 57.94 18.21 4.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -60.42 -15.0 22.16 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.07 1.64 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 49.7 mt -121.5 67.66 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.86 -24.19 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.14 -24.54 40.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 88.5 mtt180 -101.32 -0.59 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.458 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.8 ttm105 -66.75 109.06 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.35 -26.01 18.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.9 t -102.16 103.72 32.08 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.81 130.72 32.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.127 1.885 . . . . 0.0 111.36 179.125 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -48.71 -43.7 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.632 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.3 pt-20 -54.51 -37.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.5 tt0 -75.37 -44.41 45.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.726 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.55 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtt180 -70.87 -32.71 69.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.78 -51.45 55.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.005 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.36 84.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.3 98.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.436 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.62 -32.46 58.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.032 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.38 -48.05 68.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.795 179.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.88 -18.67 65.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.14 22.4 9.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.594 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 123' ' ' LEU . 16.9 m -123.03 176.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.301 0.572 . . . . 0.0 112.253 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -119.94 134.16 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.738 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.475 ' HD1' HG21 ' A' ' 125' ' ' VAL . 30.0 t80 -101.51 144.49 30.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 111.544 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.4 151.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.459 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.06 141.45 28.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 164' ' ' ASN . 25.9 p -152.38 158.43 42.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 111.599 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.0 m -122.43 111.19 16.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.28 -5.76 15.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.341 -179.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.516 ' HB2' ' HZ2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -89.31 -43.61 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.731 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.9 p -92.31 -4.32 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.506 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 34.7 39.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.638 0.586 . . . . 0.0 112.231 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.61 -56.48 4.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.769 -179.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.485 ' HB2' HG23 ' A' ' 157' ' ' THR . 83.5 m-20 -112.68 19.29 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.743 -179.708 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.4 -47.14 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.304 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.68 -14.84 61.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -64.49 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.029 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.504 HG23 HG21 ' A' ' 126' ' ' VAL . 32.1 m -85.51 -27.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.31 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.49 -43.87 79.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.85 -30.05 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.931 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.16 -52.9 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.09 -35.11 76.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.072 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 11.0 ttp -54.66 -38.47 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -68.12 -34.25 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.48 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.992 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 70.3 mt -64.8 -34.89 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -76.1 -47.81 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.792 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.3 m -87.33 -59.03 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.86 -53.98 26.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -177.244 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 28.9 tptp -60.82 -46.09 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.647 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -13.26 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.468 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 110.631 179.788 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.8 155.2 16.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.654 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.46 119.39 31.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.264 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -113.82 106.36 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 90.0 mttt -88.26 124.97 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.478 -179.392 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.19 130.45 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -111.69 120.84 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.328 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 96.0 mmm -66.94 94.08 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.337 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -106.47 163.6 4.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.696 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.73 -149.64 11.15 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -66.22 -47.04 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.6 -13.84 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.169 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.755 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 93' ' ' PHE . 14.2 m -131.25 -27.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.9 34.94 0.09 OUTLIER Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 45.5 mtmt -58.24 -55.09 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 31' ' ' THR . 96.2 p -61.77 -30.83 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.154 0.502 . . . . 0.0 111.258 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.36 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.603 -179.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.1 -25.06 66.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.241 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.5 m -68.64 -50.16 53.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.75 -29.17 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 18.9 mm-40 -74.09 -28.44 61.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -73.6 -50.4 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.384 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.477 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 46.7 ttm -82.55 -50.29 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.224 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.02 -21.29 18.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 59.11 35.94 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.368 -179.588 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -141.82 128.53 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -73.96 114.24 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 42' ' ' ASP . 47.3 t -129.4 123.7 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.63 -29.65 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' H ' HG13 ' A' ' 40' ' ' VAL . 11.3 m-20 -60.41 148.27 37.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -125.79 168.6 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.63 101.71 11.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.741 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -48.68 152.39 4.32 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.573 2.182 . . . . 0.0 112.484 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.6 m -112.48 143.52 43.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.425 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HZ3' ' HB2' ' A' ' 47' ' ' LYS . 4.2 ttmp? -139.91 -47.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.659 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.76 -11.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -74.3 127.63 33.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -115.99 168.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 34.5 m-85 -114.43 149.05 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.5 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HD3' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttm180 -150.94 137.95 19.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.55 141.75 17.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -80.13 130.29 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.24 151.6 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.66 138.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.0 tp -139.74 96.64 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 57.94 31.54 20.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -32.12 7.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HG3' HG13 ' A' ' 62' ' ' VAL . 10.6 tp10 -79.15 116.17 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.785 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -85.9 117.42 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.421 HG13 ' HG3' ' A' ' 60' ' ' GLU . 34.0 m -136.16 140.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.753 179.663 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 26.8 mt-30 -89.22 142.87 27.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.01 -179.541 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 tt -112.29 132.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.552 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 19.8 t70 -107.06 113.97 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.8 mt -106.22 145.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.26 105.48 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.24 131.18 49.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -131.0 105.08 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.27 -171.42 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.595 179.565 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.273 179.714 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -70.89 -31.24 67.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.8 -31.14 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -50.1 -40.71 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -61.27 -35.73 78.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.4 m-85 -75.29 -19.99 59.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.074 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.76 -38.94 20.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.5 p -62.7 -22.13 66.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.53 167.93 24.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.342 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.53 -48.56 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.81 164.71 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.259 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.1 148.02 52.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -132.0 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.619 HD22 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.0 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.054 -179.267 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG11 HG11 ' A' ' 126' ' ' VAL . 23.1 t -134.88 136.62 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.112 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HB3' HG22 ' A' ' 104' ' ' THR . 7.7 p90 -144.13 157.03 44.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.175 178.087 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -97.43 146.38 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.9 pt -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.361 179.59 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.443 HG23 HD12 ' A' ' 132' ' ' LEU . 75.5 p -72.61 -20.35 61.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.855 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.47 96.4 5.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.87 -16.24 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.612 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.28 -26.45 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.679 -179.331 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -68.3 -44.44 75.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.065 -179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -56.2 -37.78 70.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.443 -179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -72.69 -54.35 9.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.65 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -59.21 -35.13 73.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.619 ' HB ' HD22 ' A' ' 91' ' ' LEU . 4.8 p -60.2 -38.08 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.468 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.41 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.891 178.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 10.1 tp10 -65.62 -32.39 73.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.43 179.374 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.03 -24.74 43.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.671 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -49.11 -42.38 39.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.48 -33.14 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.5 -179.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -72.37 -27.35 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.56 -43.25 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.493 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.42 -26.08 66.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.805 -179.553 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -54.64 -50.68 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.716 0.293 . . . . 0.0 111.627 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 83' ' ' PHE . 5.5 m -67.93 -11.94 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.741 -179.594 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 75.3 mmtt -125.98 68.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.806 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.58 -26.73 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.768 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.4 4.57 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 44.4 tt0 -120.91 139.72 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.776 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.31 -4.95 18.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.182 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 75.3 mmtt -120.7 95.82 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.217 -179.76 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -109.6 109.66 59.79 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.04 124.97 17.51 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.234 1.956 . . . . 0.0 112.072 179.691 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 44.1 tp -138.37 156.02 48.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.05 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.5 tp -163.27 129.89 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.279 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 154' ' ' TYR . 3.2 p -106.0 143.89 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.51 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.452 HG11 HG11 ' A' ' 92' ' ' VAL . 9.8 p -148.57 154.99 9.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.223 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -121.01 106.51 1.14 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.017 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.67 -169.73 2.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 59.24 18.62 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.2 t -63.34 -10.84 18.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.48 -14.32 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.089 0.471 . . . . 0.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.505 HD11 ' HD3' ' A' ' 135' ' ' ARG . 22.2 mt -114.09 86.84 2.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.57 179.685 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.487 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.0 mt-10 -72.68 -24.45 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.176 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.43 -35.52 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.505 ' HD3' HD11 ' A' ' 132' ' ' LEU . 38.8 mtp180 -87.89 15.94 6.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.487 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.0 ttm180 -87.55 109.23 19.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.393 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -90.75 -28.51 18.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.418 -179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.28 110.26 45.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.414 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.54 142.45 90.14 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.193 1.929 . . . . 0.0 111.534 179.243 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 12.6 p -59.26 -38.01 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.52 -43.56 89.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.435 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.92 -45.26 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.369 -179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.61 79.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.8 mtt180 -60.5 -44.73 95.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.77 -179.665 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -56.17 -39.93 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.583 -179.442 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -48.52 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.565 -179.276 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.6 69.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.714 -179.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.33 -27.38 55.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 179.422 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -81.34 -15.49 55.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.56 24.78 15.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.961 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.87 177.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.127 0.489 . . . . 0.0 111.454 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.78 132.23 54.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.127 179.549 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HB2' HG13 ' A' ' 125' ' ' VAL . 47.0 t80 -96.47 141.98 29.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.158 0.504 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 152.13 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.851 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.19 138.85 31.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.1 p -146.47 160.44 42.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.438 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.2 p -125.19 109.01 12.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.752 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.11 6.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.589 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -97.63 -52.76 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.627 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 30.3 p -86.83 5.05 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.15 37.42 0.05 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.93 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.73 -179.589 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.8 m-20 -112.26 23.86 13.2 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -68.29 -39.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.707 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 169' ' ' PHE . 6.7 p-10 -73.97 -14.91 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.144 179.551 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 48.1 tptt -56.65 -37.88 71.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.967 -179.304 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 165' ' ' VAL . 21.2 m -75.98 -30.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.868 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . 0.408 ' HD2' ' HA ' ' A' ' 166' ' ' ASP . 98.8 m-85 -74.39 -45.62 45.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -72.16 -44.24 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.58 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.2 -53.78 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.699 0.285 . . . . 0.0 110.985 -179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.5 tp -61.75 -33.4 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.3 ttm -54.44 -42.64 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -68.7 -35.03 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -70.52 -26.4 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 172' ' ' LEU . 97.3 mt -72.25 -49.72 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.306 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.9 ptm180 -73.38 -24.68 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.547 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -88.46 -60.05 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -71.59 -54.45 10.4 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -53.73 53.82 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -60.86 -17.23 49.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.609 0.243 . . . . 0.0 111.581 -179.085 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.732 179.881 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.597 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 -176.16 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD11 ' HZ1' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -134.11 97.43 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.617 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.53 120.17 40.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HZ1' HD11 ' A' ' 14' ' ' LEU . 50.2 mttp -104.27 137.09 42.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -117.97 125.87 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.25 115.4 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mmt -67.52 97.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 21' ' ' GLY . 9.9 p -106.6 167.07 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.32 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' H ' HG22 ' A' ' 20' ' ' VAL . . . 151.27 -148.42 19.48 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.911 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -56.35 -63.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.958 0.408 . . . . 0.0 111.082 -179.511 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.77 37.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.381 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 84.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.07 -34.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.93 35.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 28' ' ' SER . 15.6 ptpt -65.94 -56.51 11.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.204 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.526 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.6 p -54.91 -30.05 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.18 0.514 . . . . 0.0 110.864 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.87 -52.8 61.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.701 -179.416 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.96 -25.17 67.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.437 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.526 ' HB ' ' O ' ' A' ' 28' ' ' SER . 88.7 m -65.8 -47.92 73.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.21 -179.664 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.02 -36.41 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.039 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' HB2' HG23 ' A' ' 165' ' ' VAL . 14.1 mm100 -60.08 -39.13 85.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -72.28 -25.02 61.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.559 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.1 tpp -81.43 -49.42 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.158 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -119.93 -1.7 10.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.3 m-20 56.94 38.24 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.895 -179.717 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -148.91 143.57 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.19 106.66 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.59 141.18 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.66 133.4 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.96 -61.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 58.67 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -112.63 144.97 32.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.52 158.01 47.91 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.509 2.14 . . . . 0.0 112.15 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -127.46 122.55 33.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -149.89 -44.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.41 -16.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.74 125.6 29.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.461 ' HB3' HD13 ' A' ' 67' ' ' LEU . 65.2 p -126.93 176.79 7.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -102.63 163.12 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -151.18 157.3 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.431 -179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.59 125.93 47.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 111.354 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.52 137.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.649 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.85 144.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -138.08 97.7 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 55.26 30.79 15.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.72 29.45 8.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.747 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.61 113.14 4.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.72 115.19 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 169.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -106.53 118.77 37.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.515 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -105.43 132.51 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.455 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.1 t70 -118.46 116.68 27.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.511 HG23 HG21 ' A' ' 31' ' ' THR . 57.2 mt -108.69 137.3 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 50' ' ' SER . 40.1 tp -139.13 105.26 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.5 116.59 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.822 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.1 p -84.61 -26.91 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.449 -179.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.6 -168.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.335 179.743 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.175 0.512 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.45 HH22 HE22 ' A' ' 110' ' ' GLN . 65.0 mtm180 -60.35 -38.24 83.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 179.648 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.17 -32.8 64.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.422 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -52.03 -52.99 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -179.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -62.71 -42.36 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.664 -179.343 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -62.94 -19.18 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.218 -179.694 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -79.62 -48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.134 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 t -68.55 -7.6 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.82 136.33 12.67 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.04 -7.73 38.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.32 155.75 24.19 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.22 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -132.8 138.4 47.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.3 . . . . 0.0 111.065 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -127.18 109.59 12.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 179.699 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.82 103.83 12.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.461 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.479 HG21 HD23 ' A' ' 90' ' ' LEU . 4.0 t -111.44 137.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.942 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.641 ' HB3' HG22 ' A' ' 104' ' ' THR . 12.1 p90 -153.47 146.4 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 178.517 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -83.07 145.3 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' A' ' 129' ' ' LYS . 31.0 pt -76.02 -32.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.3 p -74.34 -5.29 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -124.65 89.1 3.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -63.1 -17.2 62.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.57 -26.6 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 104' ' ' THR . 25.3 m -70.99 -51.56 24.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.648 -179.189 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -49.09 -42.99 40.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.51 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -71.07 -42.2 69.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.568 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.37 75.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 93' ' ' PHE . 44.9 p -66.42 -34.55 78.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.52 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.68 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.07 -179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 16.7 mm-40 -64.1 -45.91 86.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.89 -24.94 67.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.524 -179.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.01 -52.34 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.67 -34.85 72.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 50.1 mt-30 -58.51 -24.66 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.847 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.81 -37.02 77.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.05 -26.23 65.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.0 -179.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 20.7 mmm180 -50.67 -50.36 54.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.748 0.309 . . . . 0.0 111.617 -179.161 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 115' ' ' LYS . 13.5 m -73.07 -18.58 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.829 -179.545 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 74.6 mmtt -115.83 45.01 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.046 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -21.02 66.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.326 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.25 -29.95 11.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.2 tp10 -80.56 125.9 30.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.57 -56.43 4.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -69.58 120.6 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.5 mm -118.71 105.99 44.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.377 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.09 121.59 8.21 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.343 2.029 . . . . 0.0 111.785 179.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.0 tp -148.12 161.72 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 44.3 tp -161.01 131.22 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 154' ' ' TYR . 3.0 p -100.91 143.06 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.257 -179.303 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 92' ' ' VAL . 15.0 p -142.4 149.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.59 -179.594 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.75 106.18 1.35 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.863 179.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -79.92 -172.3 3.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.75 0.309 . . . . 0.0 110.659 -179.364 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.59 ' HB3' HG12 ' A' ' 95' ' ' ILE . 10.2 tppt? 60.51 14.8 5.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.343 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -57.41 -18.46 18.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.389 -179.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.41 ' HB2' ' HG ' ' A' ' 158' ' ' SER . 17.6 t70 -58.38 -22.18 52.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.709 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 50.9 mt -106.71 82.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.82 -33.02 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -76.24 -10.97 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.49 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.8 mtt180 -114.98 12.47 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.211 -179.782 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.9 ttm180 -77.81 110.44 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.459 179.703 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -87.18 -32.34 19.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.93 105.49 24.15 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.471 -179.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.04 135.69 64.37 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.089 1.86 . . . . 0.0 111.405 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -52.34 -45.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.667 -179.281 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.54 -48.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.514 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.27 -40.24 93.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.62 -28.75 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtt180 -76.12 -39.74 54.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.298 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.89 -41.17 97.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.809 -179.026 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.57 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.312 -179.342 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.78 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.869 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.22 -32.0 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -68.08 -24.63 65.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.71 24.86 6.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.199 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.32 165.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -106.9 139.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.847 178.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.496 ' HB2' HG11 ' A' ' 125' ' ' VAL . 48.2 t80 -104.08 139.38 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.335 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.465 HG12 ' HZ2' ' A' ' 167' ' ' LYS . 44.5 t -135.33 153.09 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.861 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -89.83 138.18 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.3 p -145.57 154.8 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.122 0.487 . . . . 0.0 112.018 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 160' ' ' LYS . 21.2 t -129.0 111.2 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.35 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.31 7.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.452 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 158' ' ' SER . 29.1 tptp -99.46 -54.03 3.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 t -90.16 3.7 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.091 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.452 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 34.55 43.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.107 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.14 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 4.4 m-20 -112.18 23.35 13.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.35 179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.6 p -66.13 -42.6 91.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.418 179.449 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.87 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 20.2 tptm -57.1 -31.82 65.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.117 -179.306 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -84.53 -27.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.21 -46.87 31.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -72.22 -39.47 68.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.639 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.33 -53.68 48.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.345 -179.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 176' ' ' ILE . 52.0 tp -62.14 -32.73 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.6 ttm -55.99 -45.86 78.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.461 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 23.9 mmm180 -68.39 -35.84 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.93 -32.03 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.465 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.4 mt -71.66 -46.97 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.464 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.461 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 11.9 ptm180 -74.38 -25.94 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.856 -179.21 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 91.2 m -87.7 -59.42 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -70.97 -54.6 10.74 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 86.7 tttt -61.76 -56.84 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -54.2 -18.08 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.133 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.681 0.277 . . . . 0.0 111.131 179.842 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.506 HD23 ' H1 ' ' A' ' 12' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . . . -155.52 100.71 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.776 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -83.98 104.42 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.81 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -103.92 124.71 49.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -92.44 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.469 -179.371 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.1 139.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.59 125.72 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.448 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -81.25 105.33 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.738 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 91' ' ' LEU . 14.1 p -117.94 162.48 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.533 ' HA2' HD21 ' A' ' 91' ' ' LEU . . . 160.3 87.28 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.067 -179.768 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 104' ' ' THR . 29.3 t 59.62 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.793 0.33 . . . . 0.0 111.367 179.481 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.7 -49.79 0.09 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.29 64.11 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.16 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG21 ' OG ' ' A' ' 100' ' ' SER . 93.8 t -108.98 -48.85 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.233 -179.664 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.93 37.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.304 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HD2' ' O ' ' A' ' 19' ' ' MET . 26.5 mtmm -53.08 -36.69 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.3 p -72.49 -29.16 63.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.978 179.647 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.34 65.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.164 -179.022 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD12 HG23 ' A' ' 165' ' ' VAL . 2.5 mm? -62.71 -25.37 68.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.444 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.7 m -66.38 -57.38 7.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.595 -179.414 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.27 -30.15 68.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.628 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.1 mm100 -72.69 -40.12 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 111.105 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.04 -35.09 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.534 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 33.5 mtp -82.45 -49.46 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.429 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -99.74 -20.16 16.39 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 m-20 61.24 33.91 18.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.184 0.516 . . . . 0.0 110.086 -179.164 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.75 134.86 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.65 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -89.26 108.7 19.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.5 t -136.44 135.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.71 108.21 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.976 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -161.44 141.71 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -111.55 141.59 44.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -140.65 102.98 6.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.41 154.13 31.23 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.422 2.081 . . . . 0.0 112.678 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -82.19 103.35 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.34 33.55 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.5 15.71 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.283 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -106.7 126.23 52.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -99.36 176.09 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.808 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 49.2 m-85 -107.3 162.29 14.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 179.906 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -141.23 130.44 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 111.299 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -165.31 152.06 10.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.955 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -133.73 137.39 45.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.378 . . . . 0.0 111.094 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.56 160.54 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.242 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.577 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.2 p -73.67 144.56 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.96 99.62 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.16 30.97 13.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.16 -48.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.786 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -86.35 117.06 24.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.1 tt0 -84.34 114.99 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 11.3 m -117.12 152.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -86.54 164.42 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.05 146.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.901 0.382 . . . . 0.0 111.354 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -128.06 120.21 26.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.28 143.47 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.1 tp -131.51 118.76 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.91 128.25 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.9 p -118.25 150.35 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.458 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.92 -166.78 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.318 179.69 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.194 0.521 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -60.43 -45.39 93.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.998 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.61 -30.84 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.39 -38.12 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.487 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -69.51 -32.39 71.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.301 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.02 -18.68 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -83.14 -24.07 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 13.91 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.96 150.82 18.48 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.81 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -98.94 -37.97 9.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.451 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -108.24 159.55 14.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.478 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.8 129.76 26.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.589 HD12 HG23 ' A' ' 168' ' ' VAL . 1.1 tt -120.45 103.47 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD12 HG22 ' A' ' 125' ' ' VAL . 3.1 tm? -82.94 129.31 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' A' ' 19' ' ' MET . 85.5 t -141.62 120.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 111.859 -179.78 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -121.88 151.25 40.89 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.449 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.519 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 11.3 t -89.15 135.16 33.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.33 -179.833 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.44 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 25.7 pt -70.27 -32.14 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.497 ' HG1' ' HG3' ' A' ' 129' ' ' LYS . 43.7 p -72.98 -20.84 60.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.533 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.62 97.72 6.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.649 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.77 -16.23 56.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.21 -26.7 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.444 ' OG ' HG21 ' A' ' 25' ' ' VAL . 17.8 m -69.99 -53.76 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.043 -179.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.06 -40.1 57.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.545 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 103' ' ' ALA . 47.3 p -72.79 -54.01 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.457 -179.09 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.573 ' H ' ' HG1' ' A' ' 102' ' ' THR . . . -59.12 -39.3 81.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.363 -179.305 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.599 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.2 p -56.54 -31.76 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.53 -44.7 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.429 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -63.22 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.035 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -48.98 -47.31 44.32 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.913 0.387 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.8 mt-10 -70.63 -40.57 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -56.15 -33.28 65.05 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.6 -46.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.72 -26.6 65.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -55.75 -50.67 69.78 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.6 m -64.51 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.739 -179.23 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -132.3 77.91 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 111.273 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.96 -33.48 22.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.627 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.79 -38.69 82.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.19 101.39 0.71 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.35 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.78 -29.56 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -107.49 118.04 35.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.2 107.88 32.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.562 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 18.0 Cg_endo -58.13 110.52 0.65 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.351 2.034 . . . . 0.0 112.154 -179.733 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.46 153.72 46.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -164.95 123.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.326 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.599 HG22 HD12 ' A' ' 91' ' ' LEU . 3.3 p -103.66 142.21 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.066 0.46 . . . . 0.0 111.725 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.561 HG13 HG12 ' A' ' 168' ' ' VAL . 16.8 t -144.47 152.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.625 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.05 137.02 11.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.324 179.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.441 HD22 HG12 ' A' ' 25' ' ' VAL . 37.5 p30 -102.65 -167.64 1.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.519 ' HG3' ' HG ' ' A' ' 94' ' ' SER . 41.6 mmtm 63.74 17.37 10.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.516 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.9 t -57.62 -14.25 5.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.41 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.59 6.6 6.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.372 . . . . 0.0 110.737 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.536 HD12 ' HD3' ' A' ' 135' ' ' ARG . 33.7 mt -130.74 74.5 1.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.81 -38.11 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.532 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.18 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.459 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.536 ' HD3' HD12 ' A' ' 132' ' ' LEU . 41.7 mtp180 -109.39 -29.45 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.963 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.516 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.0 ttm105 -40.76 108.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.214 -178.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -82.59 -32.76 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.281 -179.442 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.11 107.11 29.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.45 126.71 23.19 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.957 1.771 . . . . 0.0 111.315 179.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.01 -43.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.213 -179.653 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.0 -49.65 77.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.88 -29.3 69.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.27 -29.26 53.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.8 mtt180 -76.86 -38.46 53.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -62.63 -36.88 84.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.521 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -77.4 -47.95 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.55 -38.95 60.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.558 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.31 -32.09 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.649 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -51.99 -48.07 64.59 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 110.981 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.521 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.0 m0 -65.55 -18.97 65.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.52 13.41 32.77 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.107 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.86 -176.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.144 0.497 . . . . 0.0 111.463 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -125.89 130.27 50.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.69 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG23 ' A' ' 125' ' ' VAL . 29.3 t80 -94.92 131.28 41.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.0 0.429 . . . . 0.0 111.207 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.401 HG12 HG11 ' A' ' 126' ' ' VAL . 8.0 p -126.26 154.02 35.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.583 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -90.06 147.17 23.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.657 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.494 HG21 ' HB2' ' A' ' 164' ' ' ASN . 37.6 p -150.95 168.03 25.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.95 0.405 . . . . 0.0 111.485 -179.524 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -136.03 108.69 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.684 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.39 -4.38 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.01 -42.37 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -95.01 -0.37 53.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.26 41.86 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.976 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.93 -55.81 5.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.913 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.494 ' HB2' HG21 ' A' ' 157' ' ' THR . 3.3 m-20 -111.79 9.33 20.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.172 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.481 ' O ' HG21 ' A' ' 168' ' ' VAL . 8.8 p -58.18 -40.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.977 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.89 -32.95 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.281 179.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -56.65 -31.45 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.969 -179.094 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.589 HG23 HD12 ' A' ' 90' ' ' LEU . 3.3 m -73.63 -30.57 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.524 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.52 -40.13 61.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.48 -35.93 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.97 -50.91 70.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.464 ' HB2' HD12 ' A' ' 124' ' ' LEU . 67.3 tp -65.57 -32.22 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.6 ttm -54.68 -45.76 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.471 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.61 -36.24 83.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.12 -49.75 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 53.7 mt -58.63 -31.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.519 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 181' ' ' MET . 63.8 mtp180 -75.06 -55.27 5.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.315 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.2 m -87.56 -58.92 2.4 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.401 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -60.65 -54.32 46.78 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 27.9 tptp -62.07 -58.17 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -56.63 -15.89 5.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.795 -179.305 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.997 179.949 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.37 140.77 30.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.5 tp -114.47 112.47 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.07 123.31 47.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.14 144.23 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 64' ' ' ILE . 2.9 t -121.36 118.39 55.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.19 105.75 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.744 179.337 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.592 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -62.93 98.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 91' ' ' LEU . 9.5 p -103.58 156.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.678 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' HG21 ' A' ' 104' ' ' THR . . . -177.87 -161.81 26.74 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.359 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 p -64.53 -45.35 87.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.401 . . . . 0.0 110.688 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.56 31.81 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.23 69.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.295 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -127.07 -31.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.113 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.15 36.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.409 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.2 ptpt -54.7 -34.42 62.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.4 p -66.95 -29.74 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.199 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.22 -52.6 63.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD23 HG11 ' A' ' 92' ' ' VAL . 1.7 mm? -60.05 -25.16 65.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.2 m -69.08 -57.36 5.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.65 -29.59 66.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.956 -179.198 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.3 mm100 -70.31 -43.12 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -72.98 -28.7 62.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.664 0.269 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 94.0 mmm -82.1 -49.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.398 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -117.87 -15.47 10.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.237 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.8 60.12 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG3' HG23 ' A' ' 40' ' ' VAL . 8.7 tp10 -160.83 127.26 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -89.08 106.04 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' HG3' ' A' ' 38' ' ' GLU . 95.8 t -143.17 140.54 26.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.55 108.79 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -164.67 156.47 15.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.102 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -155.86 152.66 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.43 119.0 8.4 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.8 149.73 40.01 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.405 2.07 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.5 m -90.34 122.88 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -142.13 -60.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.05 7.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.28 130.29 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -137.25 149.71 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.73 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 39.6 m-85 -96.46 159.63 14.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 179.812 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -151.04 134.25 16.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 111.093 179.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -163.4 160.49 23.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 57.6 mtpt -115.4 130.07 56.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.33 145.66 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -82.73 135.32 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.9 tp -136.32 111.0 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.729 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.37 31.07 19.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.161 0.505 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 -30.53 8.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.62 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -92.83 114.02 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.1 tt0 -82.48 117.71 22.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 179.767 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.0 149.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 21.9 mt-30 -80.74 158.44 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.233 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 17' ' ' VAL . 11.9 tt -144.87 126.08 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.118 0.485 . . . . 0.0 111.573 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.63 113.19 25.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.166 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.4 mt -101.38 126.85 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 68' ' ' ASP . 1.6 tm? -96.96 133.9 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 67' ' ' LEU . 27.0 t70 -52.44 -71.58 0.07 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.6 -179.331 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.41 ' OG1' HD13 ' A' ' 67' ' ' LEU . 29.0 m 66.97 144.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.762 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.23 177.82 7.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.327 179.895 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.489 ' HA ' HD21 ' A' ' 81' ' ' ASN . 50.6 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -57.08 -49.09 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 179.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.23 -39.59 72.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 78' ' ' ILE . 32.7 m-80 -53.58 -34.73 59.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.644 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -76.87 -39.66 50.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -69.55 -17.05 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.402 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -84.28 -22.04 30.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -85.5 13.45 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.514 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 167.34 25.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.797 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.48 -45.9 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.753 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.98 152.3 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.422 179.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -128.37 141.03 51.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 tp -133.03 108.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.1 tp -82.44 137.7 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.898 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.602 HG11 HD23 ' A' ' 30' ' ' LEU . 77.1 t -141.04 126.02 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.397 179.856 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.518 ' HB3' HG22 ' A' ' 104' ' ' THR . 6.1 p90 -137.55 150.71 47.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.168 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 p -89.07 133.28 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.21 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.453 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 30.7 pt -71.76 -24.87 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.422 179.494 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -72.05 -24.31 61.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.667 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -117.78 104.39 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -62.27 -15.88 50.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.1 -26.67 62.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -179.165 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.7 p -70.62 -54.25 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.506 -179.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -57.53 -34.21 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 111.346 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.0 p -72.79 -54.0 10.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.343 -179.188 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.13 96.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD23 ' A' ' 91' ' ' LEU . 16.5 p -54.56 -31.03 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.673 179.2 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.54 -36.0 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.446 -179.457 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.7 -40.85 92.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.403 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 21.8 m-85 -53.33 -23.04 8.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.0 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -46.56 -46.8 19.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.16 -43.35 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.597 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 107' ' ' PHE . 1.7 mp0 -56.02 -36.0 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.322 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.59 -43.05 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 111.682 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.81 -26.78 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -53.88 -49.55 68.29 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.614 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -72.76 -29.81 31.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.175 -179.177 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.31 63.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 111.403 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.28 -17.85 35.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -97.1 -4.43 39.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.12 124.88 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.27 -47.36 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.1 mptm? -88.12 110.79 20.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.4 mm -108.53 104.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.085 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.02 133.5 33.59 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.245 1.963 . . . . 0.0 112.121 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.3 tp -153.22 159.2 42.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 42.1 tp -163.01 118.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.997 179.376 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.493 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -87.51 142.35 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.994 0.425 . . . . 0.0 111.331 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -137.21 146.34 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.75 125.24 6.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.252 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -96.03 -174.5 3.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.855 0.36 . . . . 0.0 110.583 -179.638 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.8 mmtp 57.62 18.18 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 p -56.93 -32.42 65.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 111.033 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -52.95 -20.46 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.855 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.432 HD12 ' HD3' ' A' ' 135' ' ' ARG . 73.2 mt -103.69 72.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.538 179.6 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.18 -21.49 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.258 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.75 -21.33 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.918 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.432 ' HD3' HD12 ' A' ' 132' ' ' LEU . 80.2 mtp180 -106.17 12.45 30.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.0 ttm180 -76.18 112.46 12.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -88.06 -29.41 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.4 t -103.73 103.01 34.21 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.078 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.5 139.14 75.23 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.203 1.935 . . . . 0.0 111.771 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -54.62 -45.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.251 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . 0.55 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.4 mt-10 -56.83 -49.92 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.08 -31.07 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.16 -29.09 60.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.215 -179.744 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 141' ' ' GLU . 77.9 mtm180 -72.14 -42.75 65.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -61.08 -43.71 98.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.43 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.476 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.74 -48.39 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.832 -179.56 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.465 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -55.08 -35.88 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.3 -31.74 71.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.42 -49.0 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.476 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 26.3 m0 -63.34 -22.57 66.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.701 179.448 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.94 18.75 14.4 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.845 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.0 158.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.433 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.31 135.5 41.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG23 ' A' ' 125' ' ' VAL . 27.1 t80 -98.41 144.73 27.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.08 0.467 . . . . 0.0 111.694 -179.134 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.497 HG21 ' HE2' ' A' ' 167' ' ' LYS . 61.1 t -138.31 152.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.184 -179.861 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.44 144.0 26.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.33 179.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.4 p -150.5 156.86 42.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.052 0.453 . . . . 0.0 111.893 -178.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -137.02 111.94 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.463 179.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 30' ' ' LEU . . . -62.89 -7.83 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.46 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -83.56 -53.43 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.0 t -92.5 -1.07 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.36 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? 33.31 46.32 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.06 -55.95 4.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.138 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 13.28 22.36 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.459 ' O ' HG21 ' A' ' 168' ' ' VAL . 7.1 p -61.81 -47.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.87 -18.63 60.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.25 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.497 ' HE2' HG21 ' A' ' 155' ' ' VAL . 1.9 tmtp? -64.28 -33.48 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 165' ' ' VAL . 15.1 m -82.26 -26.82 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.28 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -70.87 -44.09 67.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 110.459 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -72.04 -44.59 63.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 179.537 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.53 -50.03 68.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 176' ' ' ILE . 66.2 tp -59.16 -42.2 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.5 ttm -54.76 -40.33 69.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.465 ' HG2' HD11 ' A' ' 57' ' ' LEU . 77.6 mtp180 -68.89 -35.72 77.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 -179.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.73 -27.14 62.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.0 mt -72.76 -54.51 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.456 -179.767 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 181' ' ' MET . 18.2 ptt180 -63.55 -26.16 68.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.6 m -87.32 -59.68 2.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -71.07 -54.14 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.342 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -60.08 4.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.441 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.2 mmt -55.67 -21.95 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.028 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.854 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.642 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.69 162.21 25.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -135.54 108.77 7.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.707 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -107.21 153.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.1 mttt -128.64 112.35 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.04 127.2 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.783 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.27 127.01 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.552 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.9 tpt -81.12 76.62 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -85.29 155.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.51 -167.58 35.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.559 ' HB3' HG21 ' A' ' 25' ' ' VAL . 14.2 t -60.9 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.043 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.72 -29.67 0.24 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.277 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.16 41.32 1.31 Allowed Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.941 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 22' ' ' SER . 61.1 t -88.61 -74.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 111.42 -179.618 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 32.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.769 -179.613 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 41.7 pttt -49.83 -38.21 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.437 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -68.74 -29.74 68.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.08 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -52.62 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.221 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 HG22 ' A' ' 165' ' ' VAL . 2.2 mm? -58.97 -25.14 63.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.495 HG21 HG22 ' A' ' 66' ' ' ILE . 57.7 m -70.45 -46.2 64.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.438 -179.648 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.64 -38.51 77.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.39 -179.533 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.51 HE21 ' HB3' ' A' ' 162' ' ' ARG . 12.9 mm100 -60.6 -39.48 88.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.849 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.7 -25.47 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.121 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.9 tpp -81.98 -49.84 9.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.63 -14.05 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.4 m-20 64.73 39.92 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -139.9 127.64 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.532 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -86.68 110.79 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.69 143.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.12 -45.32 89.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.59 130.57 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -134.43 -178.3 4.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.099 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -130.39 118.9 18.28 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.95 135.43 58.36 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.3 2.0 . . . . 0.0 112.345 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 68' ' ' ASP . 26.8 m -91.56 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.05 92.03 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.34 21.31 8.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.219 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -114.87 131.64 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.1 p -118.24 171.82 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -119.44 122.38 41.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.46 131.36 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -149.93 135.42 18.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -79.97 117.07 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.05 142.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.992 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.4 p -75.01 141.18 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 173' ' ' MET . 52.4 tp -142.66 108.11 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.982 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.57 30.9 19.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 -33.45 6.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.661 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -99.08 119.68 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -78.7 118.31 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.195 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.78 144.7 31.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.3 132.39 35.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.023 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 tt -105.7 137.18 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -122.54 116.38 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.495 HG22 HG21 ' A' ' 31' ' ' THR . 70.7 mt -108.71 113.78 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.35 99.37 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.452 ' HB2' ' HG1' ' A' ' 46' ' ' THR . 4.0 m-20 -66.04 176.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.45 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.7 p -146.66 -178.59 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 90.9 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' ' HZ2' ' A' ' 27' ' ' LYS . . . . . . . . 0 C--N 1.332 0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.049 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.846 0.355 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -62.88 -34.54 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.34 -31.37 72.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.323 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.53 -34.66 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -70.36 -47.8 59.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 -179.536 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.493 ' HB2' HG11 ' A' ' 114' ' ' VAL . 64.4 m-85 -63.85 -30.68 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.721 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.18 -6.11 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.6 t -95.61 3.69 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.07 23.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.568 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -111.94 -27.66 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.15 166.9 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.421 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -138.13 134.14 34.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 168' ' ' VAL . 14.4 tp -124.44 100.24 6.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.556 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -84.16 104.35 14.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.483 HG22 HG11 ' A' ' 126' ' ' VAL . 11.0 p -111.49 139.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.857 179.646 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.54 ' HB3' HG23 ' A' ' 104' ' ' THR . 4.4 p90 -148.27 164.76 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.868 178.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.428 ' OG ' HG13 ' A' ' 25' ' ' VAL . 50.0 m -100.14 149.82 23.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 111.477 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 129' ' ' LYS . 5.8 pt -78.81 -42.42 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.783 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.2 p -60.45 -29.01 68.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.441 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.57 99.64 9.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.36 -16.83 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.046 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.448 ' HA ' ' HG1' ' A' ' 102' ' ' THR . 11.5 tp10 -71.57 -26.39 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.198 0.523 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 24.9 m -65.47 -53.53 41.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.271 -179.505 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.17 -34.21 74.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.799 -179.37 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.448 ' HG1' ' HA ' ' A' ' 99' ' ' GLU . 60.6 p -71.75 -53.83 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.946 -179.075 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.23 93.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.712 -179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.566 ' HB ' HD23 ' A' ' 91' ' ' LEU . 10.1 p -57.81 -31.22 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.401 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.14 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -66.76 -44.43 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.76 -25.27 64.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.078 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -49.84 -45.86 50.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.921 0.391 . . . . 0.0 110.312 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 46.5 mt-10 -70.67 -39.43 73.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.917 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.14 -34.23 65.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.029 -179.611 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.7 mt -58.68 -47.33 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.08 -29.9 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.648 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 30.3 mtp180 -60.04 -51.3 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.782 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.57 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -65.94 -13.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.9 mmtt -125.64 64.6 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.0 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.381 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -102.03 22.63 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 110.395 179.668 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 12.8 pt-20 -56.45 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.219 -179.392 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.67 -44.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.624 179.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -140.31 90.38 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.987 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.5 mm -89.39 111.09 43.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.677 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -80.5 135.18 10.36 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.437 2.091 . . . . 0.0 111.911 179.39 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -144.8 160.66 40.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 tp -162.16 126.58 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.497 HG21 ' HD1' ' A' ' 154' ' ' TYR . 3.2 p -105.91 143.64 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.821 -179.024 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 92' ' ' VAL . 7.7 p -145.97 140.83 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.994 179.421 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.83 108.92 2.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.174 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.3 p-10 -83.2 -161.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.46 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.487 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.9 tppt? 65.73 10.7 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.418 ' HG ' ' HB3' ' A' ' 156' ' ' GLU . 68.3 m -58.99 -10.79 2.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.248 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.59 -2.12 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 110.531 179.415 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.471 HD11 ' HD2' ' A' ' 135' ' ' ARG . 63.0 mt -128.72 77.31 1.77 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.5 -35.45 73.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.71 -9.19 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.471 ' HD2' HD11 ' A' ' 132' ' ' LEU . 97.6 mtt180 -116.94 -6.36 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.375 -179.809 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -56.84 107.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -86.52 -32.55 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.207 -179.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.1 t -92.3 110.48 44.84 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 125.46 16.16 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.946 1.764 . . . . 0.0 111.019 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -49.99 -44.33 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.331 -179.466 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.48 -43.71 72.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.286 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.17 -53.06 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.9 64.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.326 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.1 mtt180 -68.22 -51.07 49.57 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -56.84 -37.71 71.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.689 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -70.46 -48.47 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 179.73 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.33 -30.49 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.572 -179.284 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.15 -32.3 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.83 -36.02 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -77.51 -18.73 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.46 15.25 27.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.972 -179.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.1 -175.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.454 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.13 143.48 49.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.687 178.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HD1' HG21 ' A' ' 125' ' ' VAL . 26.4 t80 -109.7 124.84 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.941 0.4 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.473 HG21 ' HZ2' ' A' ' 167' ' ' LYS . 9.8 p -123.11 154.4 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.418 ' HB3' ' HG ' ' A' ' 130' ' ' SER . 36.2 mt-10 -89.05 146.37 24.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 32.8 p -149.33 169.22 21.31 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.652 -179.39 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -138.37 110.98 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.62 179.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.44 -6.58 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.284 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -90.56 -51.18 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.402 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 60.4 p -86.51 -6.8 58.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.51 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.5 ppt_? 37.0 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.037 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.81 -51.37 10.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.802 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.49 8.41 31.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 30' ' ' LEU . 11.7 p -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.074 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.98 -14.79 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.016 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.473 ' HZ2' HG21 ' A' ' 155' ' ' VAL . 1.1 tmtp? -67.5 -36.51 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.637 -179.274 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 p -76.26 -28.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.727 -178.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -71.51 -43.94 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.98 -42.65 66.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.66 -51.94 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 172' ' ' LEU . 0.9 OUTLIER -58.21 -49.09 78.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.532 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 13.6 ttp -53.9 -41.27 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.546 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.69 -37.51 76.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.005 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.42 -32.63 74.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.84 -50.14 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.38 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 173' ' ' MET . 67.7 mtp180 -58.78 -31.01 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.2 m -87.27 -58.71 2.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.201 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -69.67 -54.08 15.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.44 -56.46 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.799 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.3 mmt -61.6 -13.04 18.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.766 -179.063 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.65 179.85 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD13 ' H2 ' ' A' ' 12' ' ' LEU . 10.0 mp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.42 155.58 40.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.29 116.76 23.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -112.85 149.7 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.4 mttm -128.7 127.0 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.02 130.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.42 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -66.91 94.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.751 179.802 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 21' ' ' GLY . 7.6 p -102.72 164.04 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.645 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 170.86 -163.29 36.36 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.768 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -57.28 -49.56 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.029 0.442 . . . . 0.0 110.766 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.79 -17.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.279 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.85 90.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.561 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.1 m -134.64 -0.36 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.307 . . . . 0.0 111.419 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.42 40.02 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.806 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 35.3 mtmm -64.43 -54.43 32.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.89 0.376 . . . . 0.0 110.658 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.491 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -57.13 -29.93 64.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.766 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.63 -52.29 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.474 -179.69 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.443 HD12 HG12 ' A' ' 92' ' ' VAL . 5.8 mt -58.05 -25.54 61.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.084 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.6 m -73.81 -39.58 63.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.801 179.698 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.87 -29.66 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 11.8 mm100 -76.72 -33.48 58.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.0 110.565 179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -73.45 -48.14 35.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.382 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.545 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 71.4 mtp -82.13 -49.91 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -178.326 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -96.96 -28.67 14.08 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 26.5 t70 58.31 60.18 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 -179.191 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -166.8 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.704 -179.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -85.52 108.13 17.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.008 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG11 ' H ' ' A' ' 42' ' ' ASP . 21.5 t -135.43 147.03 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.34 -0.62 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.59 ' H ' HG11 ' A' ' 40' ' ' VAL . 16.9 t70 -71.99 97.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -90.86 150.11 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.978 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -131.16 102.13 15.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 179.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.46 128.58 21.64 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.329 2.019 . . . . 0.0 112.09 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.459 ' HG1' ' HB2' ' A' ' 68' ' ' ASP . 87.1 m -95.78 136.23 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.189 -179.728 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -117.98 -49.41 2.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.695 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.13 -8.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.21 129.4 34.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.416 ' HB3' HD21 ' A' ' 67' ' ' LEU . 81.3 p -107.68 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 77.2 m-85 -112.49 161.12 17.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.737 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -150.76 132.48 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HZ1' ' HA ' ' A' ' 35' ' ' MET . 40.4 ttpt -144.93 149.68 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.464 179.832 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 62.3 mttp -109.13 119.63 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.962 0.411 . . . . 0.0 111.21 -179.723 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.07 149.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.932 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.7 p -81.31 145.15 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -138.5 103.29 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 56.02 31.24 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.98 -35.16 5.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.399 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -92.33 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.702 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.7 tt0 -85.77 122.16 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.28 152.82 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 48.6 mt-30 -81.18 144.92 31.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -121.65 123.37 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 21.8 t70 -110.02 114.39 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG21 HG22 ' A' ' 31' ' ' THR . 62.6 mt -105.54 134.54 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.592 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 50' ' ' SER . 2.3 tm? -132.17 112.74 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.079 179.878 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' HB2' ' HG1' ' A' ' 46' ' ' THR . 17.1 m-20 -82.68 146.28 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.501 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -128.08 103.79 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 176.42 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 -179.996 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.43 HG21 ' HE2' ' A' ' 82' ' ' TYR . 63.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.639 0.257 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -61.63 -37.82 85.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -57.05 -31.77 65.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.459 179.673 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -70.62 -34.85 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.43 ' HE2' HG21 ' A' ' 78' ' ' ILE . 60.8 m-85 -66.13 -43.14 87.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' HB2' HG12 ' A' ' 114' ' ' VAL . 29.6 m-85 -63.95 -18.01 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.09 -33.53 26.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -87.5 11.28 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.5 148.56 17.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.647 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 180' ' ' LYS . 13.3 mm-40 -107.39 -1.6 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.41 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -138.52 159.16 25.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.354 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -137.8 134.82 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 110.971 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -127.0 105.58 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.646 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' A' ' 104' ' ' THR . 5.3 tp -82.76 123.36 29.24 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 -179.796 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG12 HD12 ' A' ' 30' ' ' LEU . 40.6 t -128.82 135.07 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.793 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.634 ' HB3' HG21 ' A' ' 104' ' ' THR . 11.1 p90 -145.04 147.16 32.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.202 178.507 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.419 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 37.4 t -88.73 147.42 24.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 111.169 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.552 HG12 ' HB3' ' A' ' 129' ' ' LYS . 27.4 pt -77.78 -34.17 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 p -71.97 -5.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.646 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -128.34 97.14 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.567 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -62.87 -17.04 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.41 -26.91 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -67.21 -54.19 23.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.694 -179.388 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.05 -37.25 71.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.17 -54.0 10.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.961 -179.229 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.32 91.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.242 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.634 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -54.24 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 110.591 179.379 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.27 65.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.216 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -69.43 -47.07 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.701 179.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.8 -25.66 65.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.005 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -54.24 -44.3 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.49 -33.36 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.561 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 64.7 mt-30 -64.68 -29.8 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.63 -45.05 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.92 -26.83 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.913 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.561 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 27.5 mmt180 -53.05 -50.77 63.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.877 0.37 . . . . 0.0 111.668 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 115' ' ' LYS . 14.8 m -69.77 -39.42 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.734 -179.522 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -96.08 35.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.821 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.94 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.98 -36.56 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.25 173.9 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.021 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -124.99 -50.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -80.02 97.2 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.46 179.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.37 120.89 49.21 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.534 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.9 Cg_endo -74.6 124.28 8.71 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.339 2.026 . . . . 0.0 112.022 179.692 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.9 tp -147.24 156.87 43.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.639 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.8 tp -157.72 125.88 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.288 179.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.476 HG11 ' HA ' ' A' ' 154' ' ' TYR . 3.9 p -99.0 143.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG23 ' A' ' 92' ' ' VAL . 9.8 p -147.32 146.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 111.487 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -118.17 105.89 1.28 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.809 179.573 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 157' ' ' THR . 22.7 p-10 -80.33 -163.94 0.63 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.552 ' HB3' HG12 ' A' ' 95' ' ' ILE . 32.3 tptt 63.37 12.97 6.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 132' ' ' LEU . 58.0 m -55.77 -14.75 2.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.355 -179.701 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.413 ' HB3' ' HG ' ' A' ' 158' ' ' SER . 6.0 p-10 -64.62 -3.55 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.333 179.499 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 74.7 mt -126.53 79.09 1.83 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.718 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -71.24 -23.21 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.89 -9.4 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.027 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.6 mtt180 -116.54 11.05 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.179 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.429 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.6 ttm180 -74.83 108.42 7.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.23 -34.41 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.475 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.1 t -87.07 111.86 43.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.33 156.62 34.59 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.173 1.916 . . . . 0.0 111.891 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 94.0 t -68.09 -66.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.468 -179.783 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -53.67 -27.79 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.721 -179.135 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.04 -44.38 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.46 67.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.4 mtt180 -77.69 -40.82 40.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -179.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -50.48 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.697 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -48.89 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.337 . . . . 0.0 111.065 -179.436 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.63 69.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.94 -32.39 69.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.019 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.03 -36.85 65.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -72.91 -22.53 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.69 31.45 4.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.466 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.38 173.96 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.57 132.79 55.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.762 179.099 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.476 ' HA ' HG11 ' A' ' 125' ' ' VAL . 44.4 t80 -95.63 138.86 32.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.176 0.512 . . . . 0.0 111.671 -179.104 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.12 154.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.041 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.86 141.58 28.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 67.8 p -150.33 173.54 13.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.413 ' HG ' ' HB3' ' A' ' 131' ' ' ASP . 28.5 t -147.82 111.62 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.69 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.71 -6.63 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 49.7 p -83.67 -9.46 58.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 37.44 35.12 0.05 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.862 -179.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.55 -55.73 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.737 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.07 18.67 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.549 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.6 p -64.34 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.579 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.1 -14.54 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.558 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -62.64 -37.55 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 165' ' ' VAL . 28.0 m -71.9 -27.1 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.418 -178.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.09 -46.75 32.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -71.82 -47.52 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.365 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.43 -54.04 46.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.28 -35.63 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.754 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.7 ttm -57.6 -44.06 85.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.571 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -69.56 -34.65 74.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.027 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 15.6 mm-40 -60.63 -35.76 76.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.49 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.2 mt -66.24 -37.96 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 181' ' ' MET . 36.5 mtm180 -76.36 -43.47 40.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.969 -179.674 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 58.6 m -87.68 -58.75 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.077 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 80.1 tttt -69.67 -54.42 13.97 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -177.145 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.9 tttt -61.97 -35.46 78.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.168 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -81.97 -39.62 23.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -178.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.495 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.554 HD13 ' H2 ' ' A' ' 12' ' ' LEU . 9.6 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.07 141.13 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.609 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -108.63 103.41 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.443 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -104.45 146.1 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.583 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.16 128.9 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.261 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.68 137.2 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.775 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 HD12 ' HA3' ' A' ' 86' ' ' GLY . 22.4 mm -106.33 132.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.295 -179.838 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.04 90.33 8.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 91' ' ' LEU . 10.9 p -100.99 154.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.353 -179.706 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA2' HG23 ' A' ' 104' ' ' THR . . . -177.64 -161.9 26.79 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.364 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.518 ' HB3' HG23 ' A' ' 25' ' ' VAL . 13.0 t -59.15 -61.99 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.672 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.29 -36.78 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.032 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.5 46.57 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.143 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 22' ' ' SER . 70.1 t -90.94 -66.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 0.0 111.268 -179.736 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.81 37.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.813 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -48.47 -48.03 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.994 0.426 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 60.5 p -66.0 -29.81 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 179.874 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.14 -53.4 54.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.367 -178.7 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.402 HD23 HG13 ' A' ' 92' ' ' VAL . 2.9 mm? -61.21 -24.84 66.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.372 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 58.8 m -71.9 -44.39 63.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.819 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.38 -42.73 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.569 -179.25 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 10.2 mm100 -55.96 -39.47 71.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 -179.683 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.75 -25.47 61.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.721 0.296 . . . . 0.0 111.483 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.2 tpp -81.94 -49.6 10.1 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.3 -3.1 10.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.6 m-20 58.83 29.51 18.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.39 140.7 35.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -91.39 107.3 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 42' ' ' ASP . 27.6 t -114.33 142.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.38 -35.06 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.527 ' H ' HG12 ' A' ' 40' ' ' VAL . 28.5 m-20 -61.16 151.41 31.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -156.7 176.28 12.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.85 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 40.8 tt0 -153.3 132.23 6.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 20.1 Cg_exo -65.58 153.67 77.17 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.32 2.013 . . . . 0.0 112.02 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -124.48 136.74 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -128.46 -27.5 2.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.4 -9.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.265 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -79.45 137.83 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.788 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.4 p -128.97 170.3 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -109.1 150.89 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -140.1 134.5 31.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.965 0.412 . . . . 0.0 111.046 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.42 162.31 41.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.52 129.4 55.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 111.628 -179.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.56 144.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.635 179.636 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -91.7 143.48 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD21 ' SD ' ' A' ' 173' ' ' MET . 53.1 tp -146.32 113.85 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 57.37 31.04 19.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.113 -179.803 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.26 36.27 18.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.729 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.14 114.78 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.841 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.42 124.8 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.73 149.64 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.22 125.29 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.55 135.72 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.725 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.11 115.34 25.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.034 -179.681 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 HG22 HG21 ' A' ' 31' ' ' THR . 68.3 mt -99.67 136.72 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -124.99 100.36 6.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.65 124.95 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 p -95.69 169.21 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.29 -163.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.779 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.283 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.353 179.785 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.921 0.391 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -49.96 -27.94 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.79 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.26 -32.31 64.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.521 -179.489 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.89 -45.95 89.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.536 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -63.34 -52.42 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.863 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -62.55 -32.58 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 111.404 -179.466 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -79.61 -1.41 37.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.4 -179.655 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.6 t -102.86 9.06 39.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.036 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -143.6 173.82 24.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.599 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.42 -29.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.702 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -105.31 155.77 16.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.54 133.25 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.707 0.289 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -126.2 101.98 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.023 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -83.45 126.36 32.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.402 HG13 HD23 ' A' ' 30' ' ' LEU . 20.0 t -130.12 143.77 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -153.07 156.96 39.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.397 178.549 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.4 m -96.76 149.62 21.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.057 0.456 . . . . 0.0 111.302 -179.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.581 HG12 ' HB3' ' A' ' 129' ' ' LYS . 15.6 pt -78.53 -36.01 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 p -71.85 -4.4 27.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.63 97.51 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.83 -18.05 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.58 -26.53 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 30.0 m -67.39 -54.25 22.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.467 -179.322 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.82 -34.82 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.1 p -71.82 -53.32 13.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.713 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.2 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.588 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.5 p -66.46 -30.51 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.045 0.45 . . . . 0.0 110.664 179.295 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.26 -54.55 42.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.172 -179.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.65 -43.6 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.647 0.26 . . . . 0.0 111.106 -179.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.3 -32.5 62.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.017 179.646 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.87 -45.89 85.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.338 179.664 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.44 -33.41 71.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' O ' HG21 ' A' ' 114' ' ' VAL . 88.8 mt-30 -62.01 -28.2 69.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -44.95 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 111.259 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.0 mt -67.07 -25.3 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.542 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.572 ' HG3' ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -65.05 -43.23 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.36 0.6 . . . . 0.0 110.608 -179.179 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -84.36 -13.55 11.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.963 -179.233 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -127.04 35.1 4.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.89 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.99 -26.62 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -99.31 131.0 45.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.3 -60.69 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.499 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -75.92 98.59 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.3 mm -102.02 104.59 37.09 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.738 179.823 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.8 Cg_endo -62.64 116.59 3.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.318 2.012 . . . . 0.0 112.234 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.09 152.0 47.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.527 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 168' ' ' VAL . 12.5 tp -153.73 119.99 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 147' ' ' ALA . 5.6 p -97.24 140.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.502 -179.191 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 168' ' ' VAL . 37.4 t -146.5 146.54 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.042 179.857 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.19 115.48 3.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.116 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.98 -166.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.581 ' HB3' HG12 ' A' ' 95' ' ' ILE . 1.1 tppp? 68.09 11.39 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.5 t -58.73 -13.36 5.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.33 -13.11 6.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.017 0.437 . . . . 0.0 110.516 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 135' ' ' ARG . 22.9 mt -120.66 86.62 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.616 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.428 ' HG2' HH22 ' A' ' 136' ' ' ARG . 36.1 mt-10 -72.78 -29.04 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.206 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.32 -23.23 37.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.365 -179.57 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.52 ' HD2' HD12 ' A' ' 132' ' ' LEU . 98.5 mtt180 -101.27 12.11 38.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.269 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.8 ttm105 -76.41 108.04 9.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 0.0 110.322 179.507 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -83.7 -31.86 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.612 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -97.89 108.33 45.57 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.497 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.78 133.81 53.37 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.226 1.951 . . . . 0.0 111.409 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.7 p -52.0 -46.28 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.57 -48.71 74.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.129 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.51 -31.47 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.85 64.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.3 mtt180 -77.0 -39.23 51.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.185 -179.779 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.5 t -63.83 -41.1 97.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -46.76 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.59 ' HB2' HG12 ' A' ' 125' ' ' VAL . . . -64.29 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.92 -179.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.49 -32.35 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -52.41 -38.69 59.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -67.43 -26.77 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.19 28.02 4.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.66 175.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.663 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.49 128.37 55.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.707 179.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.468 ' HA ' HG13 ' A' ' 125' ' ' VAL . 38.0 t80 -95.68 142.85 27.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.211 0.529 . . . . 0.0 111.798 -179.188 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.15 150.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.78 144.21 26.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.6 p -150.38 173.26 14.21 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.535 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.4 p -136.71 110.79 8.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.31 6.58 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.521 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -99.75 -47.33 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.81 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.9 p -92.46 -0.7 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 35.25 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.763 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.05 -55.2 5.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.649 -179.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.7 p30 -111.11 23.54 13.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.933 -179.452 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 33' ' ' GLN . 3.9 p -68.68 -37.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.99 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.16 -14.97 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 46.5 tptt -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.747 -179.393 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.611 HG23 HD22 ' A' ' 90' ' ' LEU . 14.4 p -81.61 -29.23 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.102 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -73.78 -46.76 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -68.89 -43.48 75.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.216 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.8 -52.69 64.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.49 -32.63 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.414 ' SD ' HD21 ' A' ' 57' ' ' LEU . 49.3 ttm -59.05 -42.77 91.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.73 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.47 -39.94 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.19 -47.15 87.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.669 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 77.0 mt -58.38 -32.57 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -73.7 -53.33 10.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.606 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -88.05 -58.81 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -178.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.499 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -61.84 -54.55 40.63 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.651 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 13.6 tmtt? -60.45 -44.72 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.818 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.2 mmt -75.64 -12.91 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.647 0.261 . . . . 0.0 111.564 -179.317 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 179.82 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 162.09 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.755 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -128.46 114.99 17.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.231 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -116.0 142.74 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.367 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 62.9 mttp -119.66 103.18 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.493 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -95.47 124.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.669 179.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mm -108.11 126.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.578 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.445 ' HE2' ' HB2' ' A' ' 30' ' ' LEU . 96.2 mmm -78.05 90.7 4.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.398 179.397 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -95.44 156.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.22 -160.22 19.25 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 -179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 77.4 p -62.04 -48.57 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.543 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . 140.79 31.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.409 -179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.67 37.39 0.02 OUTLIER Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.726 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 93' ' ' PHE . 7.0 t -94.67 -57.97 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.639 0.257 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.98 41.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -49.93 -35.72 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.248 0.547 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.2 p -82.3 -28.44 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.88 63.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.507 -178.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.471 HD21 HG12 ' A' ' 92' ' ' VAL . 2.1 mm? -64.88 -24.82 67.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.369 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 28' ' ' SER . 95.6 m -69.27 -44.17 72.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.552 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.96 -33.14 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.361 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.5 mm100 -73.09 -29.53 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.4 -179.706 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.88 -48.08 40.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.593 ' HE3' ' HB3' ' A' ' 51' ' ' TYR . 55.9 ttm -82.21 -49.7 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.507 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.19 -22.23 27.08 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.4 m-20 56.95 27.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.493 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.3 150.4 45.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.26 -179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -99.87 105.59 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.34 179.462 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.12 143.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.551 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.34 104.0 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.779 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -148.37 146.72 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -132.1 102.41 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -109.84 108.73 59.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.38 147.3 57.53 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.369 2.046 . . . . 0.0 112.326 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -74.34 97.18 2.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.693 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -90.74 31.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.754 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.18 13.65 8.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.267 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.1 128.59 42.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.466 ' HG ' ' HB2' ' A' ' 67' ' ' LEU . 50.6 m -108.89 156.54 19.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 -179.724 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' HB3' ' HE3' ' A' ' 35' ' ' MET . 31.6 m-85 -97.1 153.42 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.669 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -150.14 134.03 16.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -153.96 137.85 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.768 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -79.11 121.25 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.417 HG22 ' HE3' ' A' ' 173' ' ' MET . 34.2 m -128.84 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.0 p -83.92 143.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 174' ' ' ARG . 64.3 tp -144.3 107.81 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 56.48 31.06 18.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.53 -29.68 11.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HB3' HH12 ' A' ' 177' ' ' ARG . 10.0 tp10 -93.7 113.65 25.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.601 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.6 tt0 -83.57 116.94 22.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.4 147.73 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.45 140.39 32.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.61 137.21 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.018 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 17.0 t70 -117.54 114.22 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.23 133.97 57.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.317 -179.584 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.466 ' HB2' ' HG ' ' A' ' 50' ' ' SER . 3.2 tm? -144.76 114.38 7.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.635 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.2 157.98 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.8 p -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.02 -174.75 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.394 179.921 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.472 ' HA ' HD21 ' A' ' 81' ' ' ASN . 57.2 mt . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -58.04 -37.09 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.472 HD21 ' HA ' ' A' ' 78' ' ' ILE . 26.5 m-80 -57.62 -34.57 69.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.463 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -69.32 -48.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.43 -20.59 46.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.311 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -79.93 -32.98 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.6 t -82.55 -3.22 55.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.26 153.79 16.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.582 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.47 -54.23 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.643 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.15 160.93 25.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.498 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -136.28 140.72 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 168' ' ' VAL . 1.3 tt -130.77 104.03 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.603 HD22 ' HB ' ' A' ' 104' ' ' THR . 6.0 tp -82.46 129.23 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.795 -179.748 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 30' ' ' LEU . 39.1 t -136.36 133.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.727 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.4 p90 -138.22 160.3 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.478 178.786 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.3 m -98.73 129.2 45.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 129' ' ' LYS . 18.9 pt -62.73 -33.17 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.424 HG21 HD13 ' A' ' 132' ' ' LEU . 72.9 p -70.28 -21.04 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.295 179.351 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -114.37 92.2 3.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.549 179.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.19 -15.84 49.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.01 -26.7 61.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.43 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.1 m -73.34 -46.96 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.0 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -50.92 -43.59 59.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.377 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.4 -54.05 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -179.13 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -39.68 73.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.603 ' HB ' HD22 ' A' ' 91' ' ' LEU . 18.3 p -61.18 -31.43 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.56 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.62 81.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.292 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -41.15 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.56 -25.64 66.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -51.87 -49.32 63.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.08 -36.99 72.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.433 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 9.2 mm-40 -60.06 -33.3 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.99 -37.32 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.212 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.53 -25.57 65.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.699 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 63.5 mtp180 -50.42 -50.54 51.69 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.741 -179.413 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.504 HG21 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -71.65 -41.03 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.766 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.6 mmtt -94.3 39.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.828 -179.82 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.38 -21.85 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.52 -13.9 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.959 -179.79 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.4 tp10 -96.8 149.5 21.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -99.93 -52.52 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -74.39 108.78 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.8 mm -116.29 103.44 53.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.643 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.8 Cg_endo -69.99 119.92 6.77 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.335 2.023 . . . . 0.0 112.176 179.829 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -138.75 162.42 34.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 -179.791 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 39.2 tp -167.14 118.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.487 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -93.27 141.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.396 -179.437 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.431 HG12 HG12 ' A' ' 168' ' ' VAL . 42.1 t -143.43 143.19 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.929 -179.572 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.27 121.53 5.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.327 179.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -91.72 -166.11 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.795 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 95' ' ' ILE . 71.4 mmtt 61.69 14.64 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.369 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.499 ' HG ' ' HB3' ' A' ' 156' ' ' GLU . 68.3 m -59.8 -15.14 18.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.91 -8.92 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.454 179.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.477 HD12 ' HD3' ' A' ' 135' ' ' ARG . 42.2 mt -119.92 83.8 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.417 ' HG2' HH22 ' A' ' 136' ' ' ARG . 45.7 mt-10 -72.86 -36.05 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.58 -9.71 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.474 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.477 ' HD3' HD12 ' A' ' 132' ' ' LEU . 73.5 mtp180 -114.16 -2.81 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.299 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.7 ttm180 -65.25 108.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -82.36 -33.46 28.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.421 -179.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.43 112.07 64.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.277 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 132.92 44.82 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.076 1.851 . . . . 0.0 111.549 179.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -53.34 -43.32 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.102 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.0 -47.73 80.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.99 -38.59 91.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.83 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.287 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.5 mtt180 -63.44 -51.76 64.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.362 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -55.57 -42.61 74.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -63.29 -48.56 77.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.94 79.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.545 -179.323 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.86 -31.79 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.69 -48.79 63.35 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.767 0.318 . . . . 0.0 111.02 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -72.23 -16.57 61.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.95 19.08 18.2 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 -179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.02 175.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.065 0.46 . . . . 0.0 111.374 -179.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -119.72 130.81 55.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.735 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.487 ' HD1' HG23 ' A' ' 125' ' ' VAL . 37.1 t80 -94.8 135.77 35.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.062 0.458 . . . . 0.0 111.188 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.2 153.8 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.499 ' HB3' ' HG ' ' A' ' 130' ' ' SER . 36.6 mt-10 -89.78 142.69 27.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.6 p -147.67 164.48 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.078 0.466 . . . . 0.0 111.518 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 160' ' ' LYS . 70.5 m -140.3 111.43 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.313 179.534 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.73 -1.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.487 -179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 158' ' ' SER . 83.6 tttt -99.3 -36.24 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.929 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.8 p -98.47 -5.72 31.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.477 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.21 39.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.424 0.452 . . . . 0.0 111.904 -179.986 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.19 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.202 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -111.5 7.0 20.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.2 p -61.47 -41.81 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.76 -21.6 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.081 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -70.14 -31.51 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.871 -179.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.534 HG21 HD12 ' A' ' 90' ' ' LEU . 3.1 m -74.3 -29.07 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.694 0.283 . . . . 0.0 111.528 -179.1 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.58 -45.61 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.44 -34.96 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.84 -53.36 58.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 54.4 tp -64.12 -33.94 76.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.417 ' HE3' HG22 ' A' ' 55' ' ' VAL . 45.6 ttm -56.75 -44.95 82.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.427 ' HG2' HD23 ' A' ' 57' ' ' LEU . 81.1 mtp180 -64.46 -34.28 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.787 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -71.52 -30.89 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.574 -179.586 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.3 mt -69.68 -45.08 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 111.28 -179.808 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.504 HH12 ' HB3' ' A' ' 60' ' ' GLU . 13.0 ptm180 -74.46 -29.33 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.715 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.0 m -87.98 -59.59 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 182' ' ' SER . 82.5 tttt -70.51 -54.15 13.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -54.6 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -58.86 -12.9 4.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.742 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 40.2 m . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.009 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.587 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.27 33.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -129.04 106.62 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -104.16 152.42 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -116.78 145.71 43.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.67 124.32 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.247 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.47 106.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.593 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.2 tpt -67.75 98.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.637 -179.695 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.0 p -117.17 153.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 164.92 85.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.964 -179.788 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.6 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.76 0.314 . . . . 0.0 111.339 179.449 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.04 -63.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.283 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.21 70.01 0.21 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.101 179.693 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -114.8 -56.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.687 0.28 . . . . 0.0 111.316 -179.574 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.16 37.04 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.236 -179.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 30.2 mtmm -54.32 -39.76 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.771 0.319 . . . . 0.0 111.263 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 31' ' ' THR . 83.8 p -62.74 -29.91 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.62 -52.45 57.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.827 -179.074 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 165' ' ' VAL . 2.6 mm? -58.52 -24.93 61.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.258 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 28' ' ' SER . 34.1 m -73.84 -45.28 52.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.735 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.0 -30.23 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -71.41 -36.11 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.758 -179.355 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.45 -31.23 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.8 ttm -82.25 -49.43 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.292 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -100.45 -10.65 20.9 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.136 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.2 m-20 55.34 32.07 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.571 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.35 155.48 42.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.573 -179.487 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -95.83 109.45 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -133.31 139.68 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -86.57 120.0 27.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -164.83 165.37 20.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -140.04 125.93 19.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -139.15 103.85 7.31 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.65 146.69 92.65 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.348 2.032 . . . . 0.0 112.429 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -77.91 119.58 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -129.35 62.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.8 15.26 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.327 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -105.74 129.66 53.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -119.21 164.23 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -94.57 156.05 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -146.02 137.22 24.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.143 0.496 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -166.67 167.92 14.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.524 179.435 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB2' ' HG3' ' A' ' 63' ' ' GLN . 1.7 ttpt -129.48 133.72 47.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.884 0.374 . . . . 0.0 110.987 -179.126 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.98 154.4 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -72.14 145.62 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.78 100.56 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.1 31.3 16.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.448 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.44 -35.1 4.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.171 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.81 114.0 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.401 179.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -78.17 114.88 17.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.22 145.04 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.463 ' HG3' ' HB2' ' A' ' 54' ' ' LYS . 8.4 mt-30 -85.43 169.78 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.89 136.15 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -125.63 114.58 18.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.78 138.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 111.648 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.3 tp -135.26 129.47 33.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.71 165.63 15.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.6 p -130.6 -17.06 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.24 -173.06 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.256 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.786 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -52.49 -45.92 66.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -55.03 -38.64 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.47 -38.71 78.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.498 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -70.43 -29.61 66.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -81.51 -16.29 52.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.247 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -80.03 -47.81 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.034 -179.762 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.0 m -75.41 -0.31 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.53 155.94 18.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.809 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -108.75 -41.48 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.5 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.36 153.85 17.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -129.82 136.33 49.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -133.71 107.68 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.517 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -83.02 137.15 34.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.033 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 126' ' ' VAL . 39.8 t -141.0 110.44 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.668 -179.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.605 ' HB3' HG23 ' A' ' 104' ' ' THR . 6.2 p90 -118.72 152.22 36.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.706 0.289 . . . . 0.0 110.454 178.725 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.473 ' HG ' ' HG1' ' A' ' 96' ' ' THR . 17.4 t -92.05 141.35 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.0 pt -77.35 -28.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.473 ' HG1' ' HG ' ' A' ' 94' ' ' SER . 77.8 p -73.94 -18.47 60.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.751 179.692 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -120.63 102.51 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.87 -16.39 58.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -26.92 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.807 -179.559 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 m -69.11 -53.88 17.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.259 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.52 -36.39 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.225 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.8 p -73.01 -53.85 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.012 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.04 79.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.627 ' HB ' HD23 ' A' ' 91' ' ' LEU . 11.3 p -59.32 -33.19 70.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.041 179.699 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.91 86.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.251 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 13.9 mm-40 -61.94 -48.35 80.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -55.07 -29.01 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.729 -179.45 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -53.03 -49.28 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.29 -26.92 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.404 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.6 mt-30 -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.322 -179.444 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.23 -41.29 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.54 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -25.79 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.018 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.59 -50.55 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.188 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 115' ' ' LYS . 9.5 m -69.68 -29.52 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.787 -179.36 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 114' ' ' VAL . 74.0 mmtt -109.06 39.25 2.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.43 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.749 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.42 -36.28 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 1.9 mp0 -72.81 163.16 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -114.13 -56.04 2.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.419 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 13.5 mptt -72.06 111.5 7.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.713 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 36.7 mm -121.98 116.15 30.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.6 Cg_endo -75.57 123.65 7.72 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.34 2.027 . . . . 0.0 112.273 179.641 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.414 ' HB3' HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -146.43 151.09 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.4 -179.769 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' H ' HD22 ' A' ' 123' ' ' LEU . 21.4 tp -156.11 118.91 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.391 179.149 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.511 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -96.34 143.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.615 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 92' ' ' VAL . 3.1 p -144.73 159.65 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.58 111.24 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.051 179.66 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 94' ' ' SER . 28.3 p-10 -83.3 -165.64 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.506 -179.411 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.415 ' O ' HD11 ' A' ' 95' ' ' ILE . 29.8 mmtp 59.22 15.96 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -58.59 -19.54 39.32 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.72 -17.57 16.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.633 179.728 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.3 mt -108.14 86.01 2.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -72.6 -29.48 63.54 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.508 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.61 -22.2 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.517 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.529 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.5 mtt180 -99.19 5.8 46.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.7 ttm180 -78.6 109.27 12.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -92.47 -21.53 20.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 78.7 t -96.09 102.51 10.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.424 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.458 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 22.1 Cg_endo -61.33 128.6 25.44 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.137 1.891 . . . . 0.0 111.178 179.104 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -52.7 -43.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.75 -179.211 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.77 -41.45 70.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.458 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -75.33 -33.81 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.22 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.347 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 47.7 mtt180 -74.8 -43.01 56.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.4 t -57.53 -44.18 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.541 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.8 tmmm? -74.13 -47.96 32.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 125' ' ' VAL . . . -54.49 -30.45 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.46 -31.79 72.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -50.93 -48.12 60.85 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.541 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.1 m0 -64.54 -24.31 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.673 179.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.63 15.34 15.46 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.253 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 123' ' ' LEU . 19.2 m -121.03 167.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.478 . . . . 0.0 112.111 -179.588 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -107.3 131.87 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.025 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.511 ' HD1' HG21 ' A' ' 125' ' ' VAL . 23.0 t80 -96.83 143.21 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.935 0.398 . . . . 0.0 111.145 -179.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.12 154.51 23.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -89.62 148.36 23.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.5 p -153.01 165.19 36.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.7 m -133.77 111.54 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.513 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.42 -1.87 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.015 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.35 -41.25 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.9 p -96.92 -4.27 40.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.971 179.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.89 38.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.161 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.19 -55.58 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.818 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -108.65 14.75 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.666 -179.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.511 HG21 HD13 ' A' ' 30' ' ' LEU . 7.7 p -64.56 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.833 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.15 -14.34 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.609 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -60.89 -38.8 86.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.365 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.89 -26.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.89 -48.49 24.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.364 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.74 -49.67 37.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.884 -179.558 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.01 -45.69 79.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.26 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 tp -69.32 -40.04 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.143 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.4 ttp -57.4 -39.98 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.5 -34.81 78.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.729 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -66.91 -25.95 66.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -179.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.6 mt -71.58 -54.19 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.8 ptm180 -65.45 -28.73 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.928 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 99.5 m -88.41 -60.46 1.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.157 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 56.0 tttp -71.81 -54.8 9.01 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.086 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.0 tttm -61.15 -48.06 83.36 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.372 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.4 mmt -63.0 -17.48 62.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.391 -179.499 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.822 -179.998 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.74 138.9 48.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.6 tt -116.51 112.29 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.64 150.88 24.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.8 125.02 42.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.991 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.14 140.42 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.398 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD13 ' HA3' ' A' ' 86' ' ' GLY . 27.2 mm -103.95 109.18 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.954 179.708 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.596 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 3.4 tpt -65.52 92.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 179.762 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 91' ' ' LEU . 7.5 p -102.14 161.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.335 -179.526 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.65 -156.63 19.41 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.268 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.432 ' HB3' HG23 ' A' ' 25' ' ' VAL . 32.1 t -66.77 -62.07 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.397 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -34.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.326 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.37 43.97 1.17 Allowed Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 93' ' ' PHE . 73.2 t -93.88 -62.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.52 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.251 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.596 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 45.3 mtmt -52.72 -35.61 56.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.7 p -71.92 -30.03 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.96 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -52.47 65.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.726 -179.415 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.463 HD23 HG13 ' A' ' 92' ' ' VAL . 2.1 mm? -61.72 -25.0 67.16 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.211 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 28' ' ' SER . 57.3 m -71.91 -41.5 67.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.09 -45.45 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.74 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HB2' HG23 ' A' ' 165' ' ' VAL . 16.6 mm100 -56.58 -35.23 67.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -72.92 -25.69 61.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.799 0.333 . . . . 0.0 111.173 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 tpp -82.05 -49.61 10.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.466 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.98 -8.27 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.082 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.92 29.78 19.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.608 -179.605 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -147.31 142.12 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.023 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -89.94 108.3 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -131.99 136.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.91 94.71 0.23 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -131.8 152.55 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -146.01 112.91 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.27 104.34 14.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 139.87 76.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.469 2.113 . . . . 0.0 112.41 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -96.88 129.3 44.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -114.72 -56.39 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.699 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.98 -6.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -80.96 135.79 35.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 m -112.08 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 29.1 m-85 -112.84 150.27 31.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.749 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.93 135.32 35.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -146.31 150.04 34.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.051 -179.474 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.87 126.47 44.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG22 ' HE2' ' A' ' 173' ' ' MET . 34.5 m -139.05 150.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.17 134.0 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.7 tp -130.21 101.34 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.25 31.2 18.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.48 -35.46 5.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.565 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -87.73 114.23 24.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.84 116.83 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.68 148.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mt-30 -81.18 141.51 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.796 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 tt -114.12 139.81 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.994 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 17.1 t70 -125.94 119.67 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.815 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 HG23 HG22 ' A' ' 31' ' ' THR . 70.9 mt -114.01 126.47 71.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.21 116.41 24.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.66 125.51 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 p -100.78 -25.25 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.02 -169.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.979 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -54.94 -33.87 62.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.248 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.49 -38.67 63.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 -179.707 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.23 -34.95 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.377 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.281 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' HB2' HG13 ' A' ' 114' ' ' VAL . 76.2 m-85 -74.54 -13.36 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -84.27 -6.75 59.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.327 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -101.62 11.73 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -141.47 -179.19 18.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.699 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -125.81 -40.73 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.14 162.86 21.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.701 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -136.43 132.19 35.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.6 HD13 HG22 ' A' ' 168' ' ' VAL . 2.1 tt -123.94 105.9 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD13 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -82.89 134.3 35.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG13 HD23 ' A' ' 30' ' ' LEU . 94.7 t -139.78 139.4 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 111.899 -179.926 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HB3' HG22 ' A' ' 104' ' ' THR . 6.3 p90 -149.02 163.51 37.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -101.49 144.05 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 179.656 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.541 HG12 ' HB3' ' A' ' 129' ' ' LYS . 29.0 pt -75.69 -32.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.751 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 39.5 p -70.53 -13.57 62.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.793 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -124.62 98.17 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.89 -16.23 58.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.91 -26.04 62.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.227 0.537 . . . . 0.0 110.22 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.51 -53.85 20.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.759 -179.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.29 -35.07 67.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.0 p -72.54 -53.55 11.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.832 -179.622 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.27 80.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.615 ' HB ' HD13 ' A' ' 91' ' ' LEU . 7.3 p -58.04 -31.64 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.92 65.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -66.35 -44.1 84.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 179.662 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -62.86 -25.15 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -48.81 -45.96 41.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.46 -39.4 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.408 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 55.8 mt-30 -59.76 -27.38 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.078 0.466 . . . . 0.0 110.703 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.45 -45.34 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.72 -26.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.527 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 36.5 mtp180 -52.36 -50.63 61.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -73.93 -41.79 53.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.752 -179.37 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.7 mmtt -96.21 43.97 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.24 -179.665 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.48 -0.34 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -105.25 -36.94 7.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -82.39 143.78 30.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -80.69 -59.88 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HD2' ' HZ2' ' A' ' 179' ' ' LYS . 73.7 mmtt -77.62 122.52 25.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.751 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.0 104.0 51.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.94 113.32 1.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.317 2.011 . . . . 0.0 112.298 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.9 tp -139.01 150.92 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 tp -157.46 120.14 3.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.474 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.24 140.43 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.413 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG11 HG12 ' A' ' 168' ' ' VAL . 60.7 t -141.79 147.82 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.429 -179.511 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.42 114.35 1.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.063 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -90.51 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.626 0.251 . . . . 0.0 110.546 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.541 ' HB3' HG12 ' A' ' 95' ' ' ILE . 12.0 tptm 65.92 9.77 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.39 -9.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.533 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.52 -5.85 12.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.967 0.413 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.49 HD13 ' HD2' ' A' ' 135' ' ' ARG . 25.7 mt -124.37 88.26 2.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.97 -36.62 67.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.8 pt-20 -70.71 -20.79 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -179.645 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.49 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.6 mtt180 -105.61 4.55 30.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.24 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -75.73 108.35 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.465 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.07 -32.28 20.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.098 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.0 t -96.09 102.64 11.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.57 135.75 50.82 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.045 1.83 . . . . 0.0 111.287 179.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -50.04 -42.43 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.494 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.45 -47.06 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.686 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.031 -179.832 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.71 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.252 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtt180 -75.74 -35.46 60.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.231 -179.607 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -65.72 -51.64 57.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.401 -179.576 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -45.07 85.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.59 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 125' ' ' VAL . . . -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.78 -179.543 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -51.98 -32.56 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.251 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -53.29 -42.38 66.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 110.806 179.606 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -67.28 -22.3 65.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.735 179.842 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.74 33.8 4.6 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.19 -176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.15 0.5 . . . . 0.0 111.463 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -125.43 133.77 52.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.477 178.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.474 ' HD1' HG21 ' A' ' 125' ' ' VAL . 33.8 t80 -95.12 139.02 32.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.081 0.467 . . . . 0.0 111.717 -178.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.14 154.16 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.91 146.98 24.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.044 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 37.2 p -148.46 167.21 25.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.204 0.526 . . . . 0.0 112.075 -179.026 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 p -149.02 109.44 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.386 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.17 1.34 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.519 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -98.4 -48.27 5.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.9 p -96.15 2.2 52.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.247 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? 33.2 45.63 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.004 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -55.94 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.963 -179.538 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -111.73 13.84 21.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.62 -179.398 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 33' ' ' GLN . 9.7 p -60.79 -40.85 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.661 0.267 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.99 -30.84 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 179.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -55.08 -32.9 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.92 -179.355 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 90' ' ' LEU . 3.2 m -74.88 -33.46 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.299 . . . . 0.0 111.678 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -75.41 -42.27 54.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -71.89 -39.15 69.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.86 -46.87 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.09 -32.55 73.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.477 ' HE2' HG22 ' A' ' 55' ' ' VAL . 48.7 ttm -57.33 -42.09 81.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.999 -179.854 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.68 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 17.5 mm-40 -60.14 -52.59 64.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 59.6 mt -57.39 -31.95 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.5 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 1.4 mmp_? -70.44 -60.62 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.4 m -86.27 -59.12 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.562 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.438 ' HZ2' ' HD2' ' A' ' 120' ' ' LYS . 57.0 tttp -57.81 -54.02 51.67 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.718 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.509 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 2.0 tmtp? -63.46 -49.99 71.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.578 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.3 mmt -71.33 -12.48 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.61 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 0.0 110.509 179.652 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.623 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 8.9 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.853 0.359 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.91 171.17 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -138.51 103.43 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -104.37 121.03 42.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -102.91 111.39 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.243 -179.638 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.33 132.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.6 mm -104.86 115.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.545 -179.558 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.462 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -72.03 88.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.016 179.494 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -95.84 155.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.56 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.23 -159.41 21.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.121 -179.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.9 p -68.36 -42.17 79.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.82 32.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.477 -179.763 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.13 47.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.7 t -106.29 -53.29 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 111.025 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.74 34.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 89.4 mttt -46.67 -44.2 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 31' ' ' THR . 94.0 p -74.07 -29.39 61.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.318 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.48 -52.44 65.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.936 -179.118 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 HD13 HG23 ' A' ' 165' ' ' VAL . 2.9 mm? -64.02 -25.28 68.05 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.206 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 28' ' ' SER . 91.5 m -68.75 -43.16 76.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.19 -35.86 71.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.678 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.2 mm100 -67.1 -29.7 69.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.079 -179.668 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.45 -50.46 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.945 -179.824 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.564 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 51.8 ttm -82.09 -50.04 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.165 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.06 -25.45 24.18 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.3 t70 57.96 33.37 23.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.183 0.516 . . . . 0.0 109.978 -179.32 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.55 131.57 17.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.68 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -75.43 106.66 7.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.65 154.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.599 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.17 -90.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 47.11 89.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 111.502 -179.864 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -110.82 152.18 26.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -156.63 131.82 5.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.6 128.74 17.6 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.505 2.137 . . . . 0.0 112.126 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 m -67.82 121.99 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.022 -179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -124.05 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.12 -11.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.47 129.08 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.113 -179.783 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 p -122.06 161.41 23.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 54.8 m-85 -93.79 157.63 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -142.46 139.8 31.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.638 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -157.07 143.81 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.013 -179.829 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 98.0 mttt -103.31 118.67 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.92 146.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.1 p -72.72 139.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.793 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -131.02 99.03 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 56.41 30.74 17.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.69 -39.81 2.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.791 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.23 115.67 28.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 tt0 -73.16 127.12 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.288 -179.82 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 161.35 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.79 179.509 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.524 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 20.5 mt-30 -97.61 157.23 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 tt -131.55 137.83 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -119.95 117.18 27.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG23 HG21 ' A' ' 31' ' ' THR . 67.3 mt -116.49 133.5 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.594 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' HB3' HG21 ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.83 134.04 52.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 179.488 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -50.76 -39.65 52.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 67' ' ' LEU . 74.9 p 48.99 94.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.826 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.44 168.66 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 179.707 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.438 179.831 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.65 0.262 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -58.84 -29.86 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.15 -31.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.65 -34.78 67.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.397 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -74.67 -35.54 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.7 -23.44 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.823 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -80.71 -29.72 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.0 m -85.33 -3.32 58.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.459 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -118.61 165.26 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.605 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -112.25 -52.85 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.473 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.39 159.23 33.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.524 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -137.83 133.04 33.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 124' ' ' LEU . 23.6 mt -127.6 105.05 8.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 179.618 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.8 123.27 29.19 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.161 179.601 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.4 t -126.75 130.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.939 -179.164 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.617 ' HB3' HG22 ' A' ' 104' ' ' THR . 10.6 p90 -147.15 149.96 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.243 178.57 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -90.71 154.27 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.589 HG12 ' HB3' ' A' ' 129' ' ' LYS . 23.7 pt -78.34 -37.73 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.294 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.409 ' N ' HG13 ' A' ' 95' ' ' ILE . 40.4 p -65.26 -22.82 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.404 -179.773 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.25 95.25 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.22 -16.15 59.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.405 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -73.32 -27.3 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -178.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 80.6 p -70.22 -53.46 16.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.17 -38.3 57.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 p -72.25 -53.61 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.806 -179.393 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.56 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 93' ' ' PHE . 20.6 p -57.94 -31.95 67.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.305 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.824 179.68 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.86 -44.34 90.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 179.801 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -58.84 -27.38 65.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -55.83 -44.35 77.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 179.637 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.93 -36.58 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.463 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 58.1 mm-40 -59.82 -28.66 67.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.049 0.452 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.19 -41.81 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.98 -26.45 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.954 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.3 mmm180 -50.52 -50.63 52.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.809 0.337 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 115' ' ' LYS . 15.1 m -70.57 -21.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.7 mmtt -110.63 45.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.614 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.54 -37.53 27.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.08 -39.23 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 63.45 141.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.621 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -172.11 -60.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 73.1 mmtt -145.41 93.85 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mm -99.85 103.8 24.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.434 -179.183 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.473 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 96.8 Cg_endo -81.59 123.41 4.28 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.377 2.051 . . . . 0.0 112.128 179.427 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 61.9 tp -142.45 160.42 40.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 111.332 -179.571 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' A' ' 90' ' ' LEU . 52.5 tp -161.65 131.83 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.202 179.235 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 154' ' ' TYR . 3.9 p -107.25 144.33 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 112.044 -178.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.509 ' HB ' HG11 ' A' ' 168' ' ' VAL . 3.5 p -139.58 152.01 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.7 104.34 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.817 179.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 157' ' ' THR . 28.1 p-10 -83.67 -167.4 1.7 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.261 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.589 ' HB3' HG12 ' A' ' 95' ' ' ILE . 35.4 tptt 67.27 9.52 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.8 t -59.66 -12.12 6.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.469 -179.468 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -12.8 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.594 179.715 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 35.9 mt -118.13 88.27 2.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.73 -32.19 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.355 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.22 -14.15 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.491 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 29.0 mtp180 -109.72 11.61 24.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.162 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.5 ttm105 -75.77 111.48 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 0.0 110.723 179.839 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -89.98 -20.31 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.18 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.01 99.49 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.355 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.418 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 18.4 Cg_endo -59.86 135.25 62.13 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.193 1.929 . . . . 0.0 111.373 179.078 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.56 -43.54 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.741 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.8 -49.4 71.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.499 -179.541 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.418 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 43.8 tt0 -68.28 -31.49 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.37 -28.89 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.449 -179.75 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.4 mtt180 -76.21 -38.34 56.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.0 t -64.09 -36.18 83.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.506 -179.332 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -45.7 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.878 -179.565 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.451 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -63.29 -39.44 94.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.6 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.73 -32.84 63.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -52.47 -46.03 66.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.02 -28.77 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.83 30.32 3.27 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.478 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.6 165.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.462 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -106.99 127.36 53.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.458 ' HA ' HG12 ' A' ' 125' ' ' VAL . 36.6 t80 -94.96 143.1 26.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.88 153.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.58 -179.744 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.84 138.69 31.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.287 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.595 HG21 ' HB2' ' A' ' 164' ' ' ASN . 73.9 p -145.97 168.25 21.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.401 . . . . 0.0 111.444 -179.408 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -132.26 110.43 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.455 179.548 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.15 0.39 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.519 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -99.83 -41.89 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.403 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 53.2 p -91.22 -3.69 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.403 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.2 ppt_? 36.13 38.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.976 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.8 -56.04 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.869 -179.458 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.595 ' HB2' HG21 ' A' ' 157' ' ' THR . 62.9 m-20 -112.12 20.4 16.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.578 -179.45 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 30' ' ' LEU . 6.9 p -67.37 -40.48 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.627 0.251 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.65 -14.78 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.363 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 20.1 ttmm -59.54 -37.3 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.509 HG11 ' HB ' ' A' ' 126' ' ' VAL . 25.1 m -75.72 -26.77 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.418 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -74.01 -48.48 29.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.29 -40.67 67.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.753 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.37 -51.82 67.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.7 tp -67.92 -33.18 74.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.8 ttm -54.11 -51.48 64.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.12 -34.51 78.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.68 -31.06 71.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.462 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 80.9 mt -72.78 -55.12 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.388 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.28 -26.39 68.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.045 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.3 m -87.91 -59.79 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.304 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.409 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 81.5 tttt -71.21 -54.23 11.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.144 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 53.7 tptt -59.0 -55.68 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.455 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.0 mmt -63.04 -16.51 60.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.689 -179.344 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.0 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.671 0.272 . . . . 0.0 110.974 -179.763 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.64 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 159.5 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.2 tt -136.26 119.61 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 -179.899 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -107.87 151.97 25.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 54.3 mttp -129.81 110.27 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.539 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.49 126.88 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -108.44 114.63 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.253 -179.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.549 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 91.3 mmm -65.95 91.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.6 p -100.72 166.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -179.731 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.1 -151.96 10.73 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB3' HG21 ' A' ' 104' ' ' THR . 58.9 p -72.64 -37.37 68.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.105 0.479 . . . . 0.0 110.474 179.812 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.48 -28.0 3.18 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.034 -179.724 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.87 74.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.299 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.4 t -134.94 -48.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.739 0.304 . . . . 0.0 111.256 -179.695 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.51 44.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.759 179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 16.9 ptpt -55.01 -25.17 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 179.769 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -82.75 -29.39 29.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.3 -52.2 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.025 -178.693 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 1.8 mm? -62.54 -24.7 67.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.315 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 28' ' ' SER . 51.2 m -70.61 -45.67 64.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -70.08 -29.43 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.66 -179.25 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' HB2' HG12 ' A' ' 165' ' ' VAL . 12.7 mm100 -74.84 -37.94 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.03 -40.56 65.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.549 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 68.4 mtp -82.23 -50.06 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -178.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -103.04 -24.41 13.63 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.8 m-20 62.3 35.54 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.061 -179.132 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.85 131.39 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.603 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.51 111.71 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG13 ' H ' ' A' ' 42' ' ' ASP . 18.9 t -125.84 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.8 -23.07 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.295 -179.674 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.645 ' H ' HG13 ' A' ' 40' ' ' VAL . 20.4 t70 -66.03 156.59 33.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.278 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -157.81 149.52 21.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -128.39 147.18 62.78 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.12 157.96 53.1 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.772 2.315 . . . . 0.0 112.191 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.419 HG21 ' H ' ' A' ' 48' ' ' ALA . 62.4 m -83.11 110.88 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -88.36 35.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.419 ' H ' HG21 ' A' ' 46' ' ' THR . . . 64.15 11.83 6.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.261 -179.857 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.61 128.38 45.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.8 m -94.8 158.49 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -100.14 142.59 31.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.3 179.727 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 37.0 ttm180 -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.208 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.2 164.9 37.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -93.01 124.72 37.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.81 150.16 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.317 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 36.3 t -97.16 143.64 12.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 tp -143.3 108.31 4.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 54.67 30.87 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.0 -39.36 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.598 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.33 115.92 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.9 tt0 -84.9 115.81 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.684 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.89 154.68 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.508 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt-30 -89.38 143.71 26.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 17.2 tt -113.82 145.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.586 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.6 t70 -129.18 121.23 27.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.975 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.8 mt -119.63 140.13 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -143.51 122.42 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.1 144.2 25.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.9 p -108.31 -40.56 5.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.97 -172.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.236 179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.445 179.801 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.7 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -60.26 -48.13 83.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.25 -35.0 77.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.35 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.564 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -54.43 -35.94 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.547 -179.649 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -76.84 -38.48 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.274 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -67.33 -19.76 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 79.8 mtm180 -72.56 -38.95 67.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.707 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.0 p -77.77 2.07 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.67 166.76 12.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 179.774 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 18.1 mm-40 -113.44 -69.98 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.537 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.75 158.56 32.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -124.7 143.02 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.511 HD11 HG21 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -126.94 104.69 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 104' ' ' THR . 16.6 tp -82.46 127.61 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.735 -179.836 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.424 HG21 ' HE3' ' A' ' 19' ' ' MET . 48.4 t -136.85 140.8 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.757 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.604 ' HB3' HG23 ' A' ' 104' ' ' THR . 22.4 p90 -146.26 171.76 14.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.636 179.206 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.517 ' HG ' HG12 ' A' ' 25' ' ' VAL . 68.1 m -105.12 129.68 53.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 pt -63.55 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.463 HG21 ' HG2' ' A' ' 97' ' ' GLU . 9.7 t -86.15 -14.17 44.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 11.9 mm-40 -113.51 94.09 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -62.74 -16.76 59.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.55 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 m -75.64 -53.64 8.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.6 -179.125 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -52.35 -32.93 40.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -179.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.84 -54.53 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.721 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.68 84.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.043 -179.552 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -53.02 -37.94 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.131 0.491 . . . . 0.0 110.53 179.56 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.95 -30.84 61.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.649 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.97 -30.72 67.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.44 -24.64 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.696 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 111' ' ' ILE . 31.9 mtp-105 -49.64 -37.4 28.12 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.865 0.365 . . . . 0.0 111.032 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.2 -36.9 82.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -71.02 -26.82 63.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 110.307 179.603 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 108' ' ' ARG . 91.9 mt -69.81 -37.39 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.07 -26.25 65.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -50.73 -51.59 48.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.79 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -65.35 -33.98 67.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.599 ' HG2' HG22 ' A' ' 114' ' ' VAL . 74.4 mmtt -109.96 57.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.142 179.203 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.79 -41.31 32.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.589 -179.487 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.48 -48.18 74.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.916 0.388 . . . . 0.0 110.456 179.438 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 54.92 97.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.665 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.21 -45.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.009 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 72.4 mmtt -148.16 77.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.129 179.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 16.7 mm -81.39 108.45 10.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.798 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.537 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 87.0 Cg_endo -83.49 104.05 1.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.039 . . . . 0.0 112.22 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.39 163.1 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.661 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.9 tp -158.63 121.22 3.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.165 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' A' ' 147' ' ' ALA . 5.3 p -99.69 139.78 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.12 0.486 . . . . 0.0 111.634 -179.109 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.507 HG13 HG12 ' A' ' 168' ' ' VAL . 11.8 t -144.31 150.38 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.29 179.581 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.87 124.55 5.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.608 -179.755 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.44 -164.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' HB3' HD12 ' A' ' 132' ' ' LEU . 34.4 mmtp 56.07 20.35 4.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.79 -179.744 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.3 m -61.23 -17.06 51.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -79.52 12.94 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 36.7 mt -123.48 79.28 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.99 -20.07 61.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.317 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -91.56 -38.89 12.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.228 -179.729 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.436 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.6 mtt180 -81.93 2.14 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.386 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.3 ttm180 -64.61 107.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.16 -32.85 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.075 179.473 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.71 111.79 63.77 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.433 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.01 124.71 14.43 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 121.891 1.728 . . . . 0.0 111.546 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.8 p -49.78 -40.03 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.763 -179.589 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.23 -47.54 76.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.824 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.99 -30.42 67.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.93 -28.6 64.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.773 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.1 mtt180 -73.75 -34.79 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.191 -179.757 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -65.58 -46.3 79.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.338 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.452 ' NZ ' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.09 -46.34 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.638 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.661 ' HB2' HG11 ' A' ' 125' ' ' VAL . . . -55.97 -48.83 75.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.903 -179.303 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -50.95 -31.72 18.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 151' ' ' GLY . 9.8 mm-40 -52.66 -42.06 64.37 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.628 0.251 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.452 ' NE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.6 m0 -71.62 9.49 0.84 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.79 25.7 75.02 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.623 179.726 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 150' ' ' TRP . 31.3 m -126.17 154.33 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.34 -179.915 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -95.35 128.73 42.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.801 178.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.533 ' HB2' HG12 ' A' ' 125' ' ' VAL . 36.1 t80 -95.11 128.32 41.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.94 154.35 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.48 136.27 33.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 48.5 p -141.64 172.62 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.403 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 56.4 m -148.63 110.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.375 179.729 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.447 -179.6 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -99.26 -38.96 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.7 p -97.5 -4.12 38.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.569 -179.641 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 2.6 ppt_? 35.04 39.26 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.496 0.498 . . . . 0.0 111.866 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.12 4.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.211 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -112.03 10.02 20.41 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.246 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 168' ' ' VAL . 59.8 t -64.44 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.31 -14.48 61.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 179.405 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -76.97 -30.74 56.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.835 -179.222 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 90' ' ' LEU . 3.5 m -72.88 -30.06 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.532 -179.273 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.84 -44.77 47.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -71.74 -30.52 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.259 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.54 -53.89 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.9 -32.06 73.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.692 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.16 -37.14 64.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.36 -37.0 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.72 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 62.5 mt -58.65 -32.27 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -73.53 -54.93 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.901 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.3 m -87.59 -59.33 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.4 tttp -57.44 -54.16 49.96 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.493 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.572 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.4 ttmm -64.38 -51.84 61.25 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.738 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 56.0 mtt -64.63 -13.46 53.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.674 -179.258 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 5.6 m . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 120.701 0.286 . . . . 0.0 110.744 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.614 ' H2 ' HD11 ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.59 171.72 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.233 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -139.51 106.58 5.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -105.64 152.68 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 94.3 mttt -127.89 131.49 49.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.57 132.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.375 . . . . 0.0 111.279 179.726 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -110.77 112.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 97.4 mmm -67.81 95.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.752 179.671 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.3 p -101.29 159.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.705 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 20' ' ' VAL . . . -175.4 -160.54 23.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.699 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 26.1 t -61.1 -46.19 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.17 -6.31 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.382 -179.72 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.77 54.52 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.216 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 93' ' ' PHE . 52.5 t -114.6 -35.53 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.623 0.249 . . . . 0.0 111.4 -179.669 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.21 50.71 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.745 179.715 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.58 -35.6 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.109 0.481 . . . . 0.0 110.638 179.864 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.514 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -67.29 -29.05 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.137 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.15 -52.57 64.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.203 -178.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -62.13 -25.06 67.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.0 m -68.88 -48.58 63.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.565 -179.563 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.94 -30.73 67.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.622 -179.599 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 162' ' ' ARG . 29.0 mm-40 -71.93 -31.69 66.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.92 -39.22 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 179.717 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -82.59 -49.76 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.271 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 -26.3 12.23 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.137 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.63 30.7 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.084 0.469 . . . . 0.0 110.193 -179.325 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -134.89 127.45 30.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.379 -179.65 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.47 116.84 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.77 139.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.867 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.95 97.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -166.36 126.86 1.68 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -152.73 147.89 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.02 147.51 61.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.12 150.59 64.42 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.572 2.181 . . . . 0.0 112.398 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.1 m -94.79 104.73 16.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -102.87 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.783 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.38 3.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.19 127.84 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -111.62 162.12 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 45.7 m-85 -109.37 138.18 46.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.679 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -137.29 142.97 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -163.61 136.78 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -80.33 121.29 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.211 -179.749 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -137.27 138.07 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.7 p -81.87 144.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 111.329 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -137.15 108.06 6.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 56.37 30.92 17.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.35 -36.89 3.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.436 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -85.92 116.31 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 34.6 tt0 -82.77 132.88 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -179.809 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.4 153.68 22.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.63 129.51 37.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 tt -105.54 137.45 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.519 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.8 t70 -121.98 113.6 19.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.395 179.621 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.28 140.7 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.659 -179.337 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -133.27 99.17 4.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.69 132.27 53.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 -179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.6 p -125.0 126.09 44.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.88 -166.18 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.254 179.757 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -66.55 -46.14 77.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.781 179.426 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.44 -30.82 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.503 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 27.5 t-20 -52.41 -37.34 56.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.319 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -73.08 -39.76 65.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.602 ' HB3' HG22 ' A' ' 114' ' ' VAL . 2.3 m-85 -63.48 -26.59 68.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.566 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 76.9 mtm180 -83.63 -11.63 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.476 -179.671 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -84.38 -12.65 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.138 -179.628 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.21 161.83 22.0 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 33.8 mt-10 -100.75 -37.85 8.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.711 179.918 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.605 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -95.23 157.5 22.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.298 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -132.09 142.92 49.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.552 HD13 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -134.1 105.88 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.744 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.88 134.79 35.07 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.526 HG13 HD21 ' A' ' 30' ' ' LEU . 48.4 t -138.43 139.61 41.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.497 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 25' ' ' VAL . 13.3 p90 -147.99 145.02 28.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.775 179.166 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.7 t -83.01 145.19 29.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 23.9 pt -78.06 -33.81 18.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.658 179.623 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.539 ' HG1' ' HZ3' ' A' ' 129' ' ' LYS . 22.7 p -66.55 -17.63 64.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.419 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -119.34 100.46 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.03 -17.02 61.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.0 -26.27 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 110.489 -179.619 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 35.1 m -66.24 -53.94 31.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.277 -179.503 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -56.57 -39.58 73.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.519 -179.806 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.7 p -72.65 -53.46 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -179.296 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.13 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.282 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.614 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.0 p -54.65 -31.05 56.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.496 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.03 80.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.027 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.5 -42.86 97.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.707 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.96 -27.74 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.327 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -48.66 -49.44 37.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.68 -40.33 73.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -58.13 -28.72 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.81 -26.53 66.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.38 -179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -60.46 -50.44 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.565 -179.611 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 83' ' ' PHE . 4.4 m -68.87 -17.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.65 -179.565 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.8 mmtt -125.07 38.69 4.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.788 179.811 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.62 -20.0 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.6 mm-40 -95.94 142.45 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.77 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.38 -64.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.757 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.7 111.22 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mm -113.21 106.67 54.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.605 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 45.0 Cg_endo -67.02 111.99 2.37 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 0.0 112.221 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.1 tp -127.69 152.51 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' HB2' HD12 ' A' ' 172' ' ' LEU . 28.6 tp -154.54 116.87 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.129 179.581 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.524 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -92.82 138.24 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.453 -179.244 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.517 HG13 HG12 ' A' ' 168' ' ' VAL . 15.3 t -141.84 155.3 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -113.83 136.01 12.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.06 179.528 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -105.1 -179.38 3.93 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.539 ' HZ3' ' HG1' ' A' ' 96' ' ' THR . 1.8 tppp? 58.19 20.97 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -64.96 -8.21 14.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.29 -8.74 26.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.505 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.36 77.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -72.64 -20.06 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.24 -20.77 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -107.57 1.8 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.3 ttm180 -64.93 108.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -83.47 -32.82 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.235 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.63 108.26 26.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.02 125.36 15.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 121.986 1.79 . . . . 0.0 111.205 179.235 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.37 -42.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.546 -179.439 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.23 -49.24 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.387 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.54 -27.27 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.455 179.716 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.05 -28.76 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 66.5 mtm180 -77.31 -42.58 36.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.1 t -56.76 -47.62 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.374 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.505 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.5 tmmm? -66.57 -48.41 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.433 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -53.15 -38.4 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.564 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.69 -31.79 72.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.63 -39.53 50.65 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.828 0.346 . . . . 0.0 110.831 179.761 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.505 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 41.2 m0 -73.27 -27.88 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.56 18.17 8.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.088 -179.656 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.87 -175.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.074 0.464 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.87 129.79 51.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.281 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.8 t80 -94.82 143.43 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 111.25 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.49 155.03 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.15 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.29 147.16 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -150.49 149.75 30.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.985 0.421 . . . . 0.0 111.625 -179.508 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.9 m -115.79 110.03 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.46 179.609 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.83 -1.1 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.455 -179.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -96.52 -39.44 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.8 p -97.1 -6.1 35.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.471 ' HB3' ' HB3' ' A' ' 33' ' ' GLN . 6.4 ppt_? 34.83 39.2 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.863 -179.731 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -55.22 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.854 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -110.35 14.73 22.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.945 -179.005 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.491 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.61 -41.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.281 -179.806 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.44 -25.04 60.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.11 -31.49 68.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.72 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.552 HG21 HD13 ' A' ' 90' ' ' LEU . 3.4 m -79.17 -29.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.672 0.272 . . . . 0.0 111.386 -179.567 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -73.06 -43.39 62.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.475 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.14 -41.01 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.84 -47.85 79.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 124' ' ' LEU . 58.0 tp -66.2 -34.96 79.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 52.4 ttm -57.54 -37.56 73.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.1 -34.71 76.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.12 -48.58 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.8 mt -57.89 -32.18 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 173' ' ' MET . 78.3 mtp180 -74.98 -50.82 15.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.945 -179.358 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.4 m -87.34 -58.9 2.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.488 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.75 -54.18 48.34 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.53 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.9 tttp -63.05 -56.03 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.44 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.49 -12.68 33.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 178' ' ' THR . 42.5 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.736 0.303 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.651 ' H3 ' HD11 ' A' ' 12' ' ' LEU . 6.9 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.32 148.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -123.51 111.96 16.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -111.81 136.05 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 99.7 mttt -109.39 115.34 29.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.6 130.16 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -110.55 131.84 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.616 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 90.8 mmm -78.22 82.12 4.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.557 179.588 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 21' ' ' GLY . 14.1 p -85.37 158.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 176.48 -161.13 29.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.823 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB3' HG22 ' A' ' 104' ' ' THR . 59.8 p -63.54 -45.08 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.22 -45.11 0.88 Allowed Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.059 -179.658 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.19 86.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.138 -0.554 . . . . 0.0 111.932 179.604 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.548 HG21 ' HA ' ' A' ' 93' ' ' PHE . 19.7 t -134.74 -59.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.35 -179.354 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.68 46.52 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.131 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -61.32 -45.09 95.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.52 -179.652 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 17.0 p -50.96 -29.45 12.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.283 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.76 -52.72 63.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.186 -179.028 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -63.02 -25.06 68.21 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.552 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.615 HG21 ' HB3' ' A' ' 68' ' ' ASP . 43.9 m -70.2 -42.66 72.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.358 -179.83 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.3 -31.37 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.424 -179.729 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.57 HE21 ' HB3' ' A' ' 162' ' ' ARG . 9.8 mm100 -72.8 -27.82 62.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 111.382 -179.458 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -73.18 -47.78 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 0.0 111.31 179.716 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.465 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 52.5 tpp -82.14 -49.4 10.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -91.59 -29.93 16.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.231 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 59.36 36.89 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.219 0.533 . . . . 0.0 109.963 -179.074 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -148.45 128.49 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.294 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -77.87 112.37 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.2 p -145.23 148.66 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.18 8.42 2.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 40' ' ' VAL . 17.6 t70 -67.01 150.45 49.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.786 179.894 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -150.83 151.26 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -134.97 116.52 12.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.44 147.61 56.58 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.249 1.966 . . . . 0.0 111.959 179.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.519 ' HB ' ' HB ' ' A' ' 69' ' ' THR . 86.3 m -134.78 125.45 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.328 -179.791 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -116.02 -30.44 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.398 179.483 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.61 4.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.207 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.55 135.74 39.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.487 ' HB2' HD23 ' A' ' 67' ' ' LEU . 24.4 t -128.08 176.77 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.244 -179.661 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 53.8 m-85 -96.27 155.6 16.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -151.04 129.77 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.969 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -153.04 169.94 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 94.7 mttt -109.84 131.72 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.278 -179.813 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.8 m -139.47 138.56 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.623 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -83.74 144.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' HE3' ' A' ' 173' ' ' MET . 19.4 mt -133.21 94.99 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.24 30.58 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.91 -56.21 0.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.319 179.491 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -79.92 121.98 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 112.029 -179.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.6 tt0 -88.76 114.48 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.634 179.66 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.33 149.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.49 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.7 mt-30 -88.05 153.99 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.27 142.47 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.18 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.3 t70 -118.12 118.81 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.6 mt -109.94 111.31 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 111.642 -179.641 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 50' ' ' SER . 2.2 tm? -92.83 110.45 21.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.031 179.662 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB3' HG21 ' A' ' 31' ' ' THR . 6.9 p-10 -94.65 -172.09 2.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.624 -179.178 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.519 ' HB ' ' HB ' ' A' ' 46' ' ' THR . 92.4 m 63.63 101.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.14 -87.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.013 -179.611 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -61.9 -31.52 71.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.925 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -50.21 -36.88 32.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -46.83 74.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.539 179.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.6 -28.22 41.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -86.76 9.18 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.06 155.45 21.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.599 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.8 -71.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -83.04 156.94 34.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.281 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -127.87 135.79 50.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.695 0.283 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.468 HD23 ' SD ' ' A' ' 19' ' ' MET . 24.7 tp -120.93 106.42 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 179.855 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.9 -179.605 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.583 HG22 HG13 ' A' ' 126' ' ' VAL . 12.6 p -110.91 132.96 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.548 ' HA ' HG21 ' A' ' 25' ' ' VAL . 1.2 p90 -136.24 178.09 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 178.851 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.414 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -110.89 131.57 54.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.445 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 39.2 pt -69.67 -29.5 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.249 179.109 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.2 p -70.33 -15.76 62.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.624 179.283 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 44.1 mt-10 -124.63 96.65 4.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -61.77 -16.01 46.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.756 179.707 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 15.3 pt-20 -72.42 -26.38 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.659 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.0 m -68.34 -53.49 23.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.65 -179.428 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.69 -35.46 61.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.411 . . . . 0.0 111.715 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 p -72.02 -53.33 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.817 -179.182 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.54 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.952 -179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.566 ' HB ' HD12 ' A' ' 91' ' ' LEU . 12.3 p -58.81 -31.08 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 110.111 179.336 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.21 75.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.02 -43.87 91.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.443 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.76 -27.34 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -53.09 -45.47 68.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.85 -34.77 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.672 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -64.04 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.23 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.34 -40.23 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.58 -30.66 70.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.21 -49.63 59.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.267 -179.71 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.73 -13.3 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.339 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.06 41.95 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.43 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.321 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.52 142.03 29.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -95.78 -51.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 0.9 OUTLIER -78.81 96.25 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.992 -179.86 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.96 109.05 42.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.51 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 56.4 Cg_endo -69.22 118.46 5.69 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.547 2.165 . . . . 0.0 112.885 -179.491 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.89 165.76 21.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.818 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 90' ' ' LEU . 29.2 tp -169.05 110.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.536 178.42 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.52 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -88.54 142.78 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.51 -178.804 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.583 HG13 HG22 ' A' ' 92' ' ' VAL . 11.5 p -152.28 149.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.07 114.96 2.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.146 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -79.42 -162.55 0.42 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.787 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.405 ' O ' HD13 ' A' ' 95' ' ' ILE . 73.1 mmtt 60.96 14.14 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.469 ' HA ' HH21 ' A' ' 136' ' ' ARG . 71.4 m -56.49 -15.14 3.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.427 -179.731 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.2 6.9 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.727 179.442 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.468 HD11 ' HD2' ' A' ' 135' ' ' ARG . 71.3 mt -128.71 77.94 1.81 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.5 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -73.15 -15.0 61.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.43 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.7 pt-20 -91.14 -10.6 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.086 -179.864 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 132' ' ' LEU . 97.1 mtt180 -116.22 1.95 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.5 HH12 ' HG2' ' A' ' 133' ' ' GLU . 45.3 ttm105 -70.86 108.74 4.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 110.267 179.508 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -93.65 -27.23 16.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.483 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -94.84 109.18 42.52 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.453 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 133.26 50.34 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.154 1.903 . . . . 0.0 111.455 179.153 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -53.79 -47.87 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.38 -48.3 81.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.66 0.267 . . . . 0.0 110.918 -179.503 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.42 -35.74 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.307 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.31 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.598 179.626 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 86.4 mtt180 -74.49 -37.73 63.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.864 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -60.6 -41.88 95.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.451 -179.419 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -48.35 20.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.0 -179.581 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.416 ' CB ' HG13 ' A' ' 125' ' ' VAL . . . -61.5 -30.44 70.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.38 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.53 -32.01 72.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 -179.458 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.52 -46.11 63.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 179.381 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -68.22 -23.04 64.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 179.453 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.97 12.29 24.33 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.28 170.14 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.321 0.581 . . . . 0.0 112.335 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.71 157.72 20.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.838 179.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.52 ' HD1' HG23 ' A' ' 125' ' ' VAL . 31.2 t80 -118.84 141.51 48.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.514 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.01 153.87 30.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.238 179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -93.47 140.32 29.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 77.5 p -145.25 163.76 33.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.081 0.467 . . . . 0.0 111.745 -179.614 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.5 p -141.27 110.28 6.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.595 179.572 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 165' ' ' VAL . . . -59.81 -21.15 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.496 -179.792 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.9 -55.65 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.603 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -89.6 0.61 56.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.484 -179.482 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.57 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.0 ppt_? 33.62 41.41 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.549 0.531 . . . . 0.0 111.944 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.22 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.193 -179.26 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 167' ' ' LYS . 2.9 m-20 -111.84 19.6 17.81 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.241 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 33' ' ' GLN . 90.9 t -66.76 -49.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.731 0.3 . . . . 0.0 110.683 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -71.68 -14.3 62.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.49 ' HZ1' ' HB2' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -61.23 -39.3 89.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.218 -179.418 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 32.6 m -77.97 -26.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.63 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.73 -45.54 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.629 179.789 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.03 -39.51 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.028 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -53.51 56.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.168 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.16 -35.81 79.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.502 ' HE3' HD12 ' A' ' 57' ' ' LEU . 20.8 ttp -60.57 -41.25 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -69.83 -34.61 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.541 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -62.34 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 90.2 mt -71.87 -52.41 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.474 ' HA ' ' HE3' ' A' ' 181' ' ' MET . 70.3 mtp180 -58.16 -37.12 74.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.962 -179.292 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.3 m -88.07 -58.87 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.646 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 82.0 tttt -69.79 -54.31 14.22 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.643 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 22.2 ttpp -58.27 -41.83 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.593 0.235 . . . . 0.0 111.608 -178.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 177' ' ' ARG . 40.8 mtt -76.51 -15.23 59.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.757 -179.893 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.506 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.41 172.81 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -139.33 102.83 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -104.38 152.33 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -179.808 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -125.81 128.98 48.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.871 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.02 132.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.414 HD13 ' HA3' ' A' ' 86' ' ' GLY . 20.7 mm -114.21 132.77 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 179.732 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mmt -85.15 93.19 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.03 179.64 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -101.88 160.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.587 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' N ' HG21 ' A' ' 20' ' ' VAL . . . 162.96 -155.78 27.27 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 104' ' ' THR . 29.1 t -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.663 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.28 29.25 0.25 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.399 -179.855 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.52 80.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.617 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 1.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 111.291 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.91 44.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.688 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 32.3 mtmm -66.62 -56.82 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.491 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.8 p -58.05 -29.59 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.847 179.45 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.97 -52.95 61.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.7 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.03 -25.44 63.7 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.22 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.5 m -69.96 -58.03 4.33 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.342 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.72 -31.09 57.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.6 -179.282 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.9 mm100 -67.59 -43.5 80.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -73.01 -25.36 60.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 111.416 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' THR . 95.9 mmm -81.73 -49.33 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.18 -6.23 13.03 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.178 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.1 m-20 58.78 34.47 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.78 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -149.78 142.62 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -179.648 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -90.3 105.68 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.14 144.12 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.778 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.74 115.41 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.69 -60.58 1.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.1 t80 61.51 105.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.282 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.29 93.12 2.27 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.87 179.696 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.59 127.72 26.52 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.588 2.192 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -81.21 162.96 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -113.31 -44.84 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.23 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.41 133.08 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -111.62 176.92 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -102.06 125.76 48.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.86 131.04 54.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 179.47 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -142.67 136.48 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.59 120.25 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.9 m -132.09 159.78 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -94.75 139.97 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.3 tp -138.09 101.68 4.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 57.19 31.26 19.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.03 -25.05 29.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.6 114.16 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 111.106 -179.894 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.77 116.53 18.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.2 m -120.7 142.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.271 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.98 136.33 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.782 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -111.51 135.84 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -118.81 113.58 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.46 HG21 HG23 ' A' ' 31' ' ' THR . 36.8 mt -115.12 134.06 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.217 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.8 tp -136.19 137.4 40.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -89.61 114.67 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.2 p -87.8 -22.65 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -166.87 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.289 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.665 179.911 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -66.11 -27.03 67.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.67 -30.93 71.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.77 -40.86 56.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.305 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -64.22 -43.24 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -179.614 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' HG13 ' A' ' 114' ' ' VAL . 32.4 m-85 -65.28 -30.24 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.803 179.84 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -81.38 -21.92 38.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -85.6 6.37 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -132.84 172.77 21.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.47 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -118.02 -26.18 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.59 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -114.01 158.88 14.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.425 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -133.98 140.19 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.074 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.526 ' HG ' HD23 ' A' ' 172' ' ' LEU . 10.5 mt -129.26 109.74 11.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.742 179.196 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 104' ' ' THR . 3.9 tp -82.13 126.3 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.993 179.811 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t -131.42 138.85 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.452 . . . . 0.0 112.17 -179.389 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.619 ' HB3' HG22 ' A' ' 104' ' ' THR . 9.8 p90 -148.87 151.77 35.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.195 178.597 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.478 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 36.3 m -87.44 127.89 35.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.445 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.2 pt -60.95 -39.69 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.898 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 97' ' ' GLU . 6.0 t -71.37 -12.42 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HG3' HG23 ' A' ' 96' ' ' THR . 39.6 mt-10 -118.11 93.88 4.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.707 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.97 -16.21 58.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.207 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.62 -26.26 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.852 -179.338 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' THR . 17.6 m -74.45 -53.11 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.774 -178.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -48.85 -38.21 21.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 0.0 111.62 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.75 -53.61 11.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.999 -179.595 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -36.59 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.326 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 93' ' ' PHE . 43.3 p -58.56 -34.49 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.063 0.459 . . . . 0.0 110.772 179.757 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.74 73.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.31 -179.674 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.27 -43.32 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.771 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -66.33 -25.85 67.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -54.14 -44.84 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.523 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.01 -34.45 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.754 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 78.9 mt-30 -60.82 -30.05 69.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.38 -45.77 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.94 -26.74 66.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.247 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HD3' ' HA ' ' A' ' 110' ' ' GLN . 70.5 mtp180 -64.75 -51.05 64.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.48 -179.767 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 83' ' ' PHE . 1.4 m -62.44 -22.75 30.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 110.574 179.674 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -114.33 51.14 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.075 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.21 -40.37 16.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.092 -179.211 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.62 -46.57 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.35 121.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.141 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -148.8 -61.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.588 179.108 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.516 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mmtt -146.42 92.8 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.572 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mm -95.21 104.08 14.11 Favored Pre-proline 0 N--CA 1.463 0.188 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.63 -178.79 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.59 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 98.4 Cg_endo -80.74 122.52 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.208 1.939 . . . . 0.0 111.684 179.209 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.43 155.16 51.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -179.492 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -161.84 120.76 2.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.235 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.481 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.92 141.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.972 0.415 . . . . 0.0 111.136 -179.521 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.52 147.81 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.146 -179.499 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.16 128.72 8.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.876 179.568 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -101.92 -173.14 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.324 -179.702 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.478 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 11.6 mmmm 56.73 19.44 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.431 ' HA ' HD12 ' A' ' 95' ' ' ILE . 70.6 m -58.35 -16.31 14.03 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.327 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.28 -0.52 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 179.524 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.481 HD11 ' HD2' ' A' ' 135' ' ' ARG . 46.7 mt -121.22 69.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -64.64 -33.44 75.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.9 pt-20 -70.82 -17.06 62.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.481 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.2 mtt180 -106.4 -4.82 19.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 133' ' ' GLU . 42.0 ttm180 -63.29 108.37 1.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.747 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -96.91 -21.6 17.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.374 -179.324 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' A' ' 143' ' ' ALA . 79.9 t -101.83 98.52 9.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 9.3 Cg_endo -52.54 153.17 14.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.358 2.039 . . . . 0.0 112.044 179.682 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 90.2 t -62.37 -54.25 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.477 -179.497 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.32 -44.18 71.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.791 -179.041 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.9 -35.66 80.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . 0.417 ' HB3' HG13 ' A' ' 138' ' ' VAL . . . -73.97 -30.57 62.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.7 mtt180 -78.26 -35.12 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -51.34 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.74 97.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.716 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.97 77.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.48 -179.694 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.83 -32.5 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.806 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -51.4 -42.21 61.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -69.41 -27.15 65.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 179.618 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.02 32.91 2.71 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.816 179.613 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.1 170.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.07 0.462 . . . . 0.0 112.111 -179.715 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.47 135.05 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.663 178.888 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.481 ' HD1' HG21 ' A' ' 125' ' ' VAL . 40.8 t80 -98.61 143.29 29.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.185 0.517 . . . . 0.0 111.951 -179.055 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.02 152.07 20.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -89.51 143.78 26.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.5 p -150.64 153.41 35.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.989 0.423 . . . . 0.0 111.668 -179.427 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.0 m -124.0 109.82 14.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.46 -3.48 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.32 -179.818 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -93.84 -47.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.408 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 67.7 p -89.93 -3.87 57.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.482 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.4 ppt_? 36.45 36.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.048 179.864 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.13 -52.7 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.694 -179.469 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -111.65 16.32 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -179.346 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.64 -43.25 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.946 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.0 -15.19 61.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.307 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -61.57 -45.78 92.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.373 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.32 -26.69 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.602 -179.333 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -69.04 -46.37 68.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.183 179.412 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.02 -30.55 65.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.34 -50.98 61.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.69 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.526 HD23 ' HG ' ' A' ' 90' ' ' LEU . 31.2 tp -63.71 -33.75 76.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.36 -44.06 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.118 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -70.05 -34.75 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.681 179.358 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.89 -44.75 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.453 -179.706 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 67.6 mt -72.71 -54.8 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.713 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -56.98 -30.38 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.929 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 75.6 m -87.94 -60.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -179.431 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.516 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 78.8 tttt -72.24 -55.12 7.74 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.36 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -57.23 -58.53 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.637 0.256 . . . . 0.0 111.668 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.9 mmt -57.63 -18.28 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.775 -179.302 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 36.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.49 158.59 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.431 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.8 tp -130.02 109.13 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -103.91 133.05 49.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.9 mttm -116.22 103.98 11.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.56 129.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.188 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 HD13 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -95.94 108.86 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.831 179.816 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.585 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.8 tpt -66.95 97.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.703 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.4 p -113.45 160.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' HG21 ' A' ' 104' ' ' THR . . . 161.34 84.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.732 -179.805 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' HG23 ' A' ' 104' ' ' THR . 28.3 t 61.1 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.887 0.375 . . . . 0.0 111.221 179.51 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.36 -36.45 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.69 58.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.268 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG23 ' OG ' ' A' ' 100' ' ' SER . 53.7 t -106.93 -55.12 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.33 36.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.056 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.651 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -50.59 -38.3 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.367 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 p -68.44 -30.39 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.33 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.99 -179.081 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 165' ' ' VAL . 2.3 mm? -62.51 -25.49 68.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.064 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.1 m -74.2 -37.89 63.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.968 -179.353 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 99.4 mt -70.91 -49.0 50.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.474 -179.237 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -55.86 -41.24 74.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.377 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 tpp -81.52 -49.86 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.167 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -127.41 -10.47 5.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.561 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.05 73.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -169.82 134.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.597 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -91.39 105.88 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.112 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.1 t -138.86 149.62 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.879 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -90.43 97.57 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.746 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -170.84 143.2 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -157.43 168.1 28.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.74 144.22 28.98 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 147.61 76.43 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.358 2.039 . . . . 0.0 112.295 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 68' ' ' ASP . 43.8 m -102.27 107.27 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -106.73 -56.0 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.44 -1.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.89 138.2 40.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.635 179.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.493 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -129.75 148.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -179.751 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 70.2 m-85 -92.43 132.37 36.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.258 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -134.85 135.44 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.118 0.485 . . . . 0.0 111.551 -179.655 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.25 172.25 18.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.029 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -128.55 143.2 50.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.499 . . . . 0.0 111.954 -179.62 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.5 m -145.55 137.2 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.41 179.635 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.96 129.67 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.6 tp -137.06 120.17 16.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 55.87 30.67 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.69 56.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.708 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -146.04 113.82 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.17 122.36 26.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.28 177.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -119.01 123.0 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.31 142.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.7 t70 -134.74 116.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -179.663 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -99.76 131.16 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.336 179.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 68' ' ' ASP . 2.5 tm? -142.06 139.78 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.439 -178.677 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.531 ' N ' HD12 ' A' ' 67' ' ' LEU . 28.2 t70 80.35 105.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.547 179.441 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -143.89 167.24 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.324 179.574 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.484 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . 61.92 172.02 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.554 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.972 179.487 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -60.56 -46.06 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.263 -179.711 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.94 -34.07 58.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.28 -46.76 88.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.788 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -65.07 -44.7 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.627 -179.503 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -17.05 63.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -84.09 -17.99 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.2 m -102.86 11.39 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.45 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -120.18 175.14 15.85 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.518 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -115.9 -60.94 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.533 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.58 166.54 27.96 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.54 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -137.89 132.76 32.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.739 0.304 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 168' ' ' VAL . 1.2 tt -123.48 97.01 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.817 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.22 128.96 34.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.657 -179.619 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.81 138.52 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 111.831 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.551 ' HB3' HG22 ' A' ' 104' ' ' THR . 30.5 p90 -144.91 146.84 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.445 178.866 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.7 m -90.59 135.02 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.156 -179.683 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.5 pt -64.38 -29.75 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.419 HG23 HD12 ' A' ' 132' ' ' LEU . 35.4 p -73.08 -31.14 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.619 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.02 98.3 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.635 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.35 -21.76 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.036 -179.811 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.424 ' OG ' HG23 ' A' ' 25' ' ' VAL . 31.5 m -67.63 -54.73 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.539 -178.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.53 -36.07 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.569 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.0 p -71.7 -53.39 13.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.01 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.46 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.034 -179.854 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.615 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.0 p -56.96 -35.97 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.636 179.477 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.077 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.27 -47.93 63.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.696 179.81 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.5 m-85 -58.9 -24.61 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.774 179.626 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -52.52 -48.3 66.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.76 -36.3 73.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.634 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -61.26 -34.11 74.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -62.58 -42.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.468 -179.696 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.22 -26.67 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.6 mmt180 -52.5 -51.19 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.875 -179.169 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.7 m -66.56 -40.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.655 -179.43 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -96.96 32.22 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.36 -18.19 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.04 -32.03 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.26 137.61 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.05 -60.57 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.01 120.18 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.5 mm -123.16 104.23 35.34 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.6 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 33.6 Cg_endo -64.8 104.42 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.354 2.036 . . . . 0.0 111.719 179.361 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -133.38 154.39 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 111.272 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.527 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -160.61 123.78 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.54 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.542 HG22 HD13 ' A' ' 91' ' ' LEU . 7.3 p -102.26 143.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 111.5 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.535 HG13 HG13 ' A' ' 168' ' ' VAL . 12.0 t -140.2 152.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.82 133.52 11.66 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.231 179.859 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -104.54 175.61 5.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.408 ' HG3' HD12 ' A' ' 132' ' ' LEU . 0.1 OUTLIER 54.69 26.28 7.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.842 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -69.21 -1.99 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.583 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.97 19.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.526 HD11 ' HD3' ' A' ' 135' ' ' ARG . 55.3 mt -139.17 87.78 2.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.63 -34.98 67.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.5 pt-20 -78.22 -40.81 36.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.526 ' HD3' HD11 ' A' ' 132' ' ' LEU . 78.7 mtp180 -81.76 7.44 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 39.9 ttm180 -69.34 116.76 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.82 -33.99 19.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.419 179.704 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 83.6 t -114.15 114.66 45.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.752 179.572 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 78.2 Cg_exo -50.64 125.0 14.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.17 1.913 . . . . 0.0 111.789 179.652 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -49.45 -40.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.792 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.14 -41.34 88.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 98.0 mtt180 -66.28 -41.19 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -65.73 -47.95 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.772 -179.266 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -47.41 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.216 -179.419 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.504 ' HB1' HG13 ' A' ' 125' ' ' VAL . . . -65.16 -37.06 86.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.392 -179.611 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.97 -32.1 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.01 -48.32 64.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.749 179.641 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -58.88 -27.61 65.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.98 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.06 20.05 8.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.132 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -121.13 164.18 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 111.67 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -103.26 128.17 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.726 178.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.479 ' HA ' HG11 ' A' ' 125' ' ' VAL . 32.5 t80 -96.52 124.18 40.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 0.0 111.415 -179.212 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.31 155.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.324 -179.608 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.66 147.25 23.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -179.713 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.7 p -149.83 173.26 13.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.98 179.764 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.405 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 67.9 m -139.72 110.97 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.9 -3.68 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.646 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -99.48 -46.54 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 30.3 p -85.25 -9.65 57.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? 35.01 39.98 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.67 0.606 . . . . 0.0 112.022 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.48 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.788 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -111.78 16.27 20.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.532 -179.455 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.3 p -63.32 -39.26 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 179.74 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.31 -23.98 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 179.55 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 171' ' ' ASP . 8.0 tmtm? -63.37 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.799 -179.303 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.545 HG22 HD12 ' A' ' 90' ' ' LEU . 3.0 m -73.15 -32.26 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 111.298 -179.201 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -74.38 -41.6 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.654 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -72.04 -35.57 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.398 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.492 ' HB2' ' HZ2' ' A' ' 167' ' ' LYS . 10.8 t70 -64.71 -44.76 89.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 110.706 -179.724 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 124' ' ' LEU . 62.3 tp -72.84 -33.83 66.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.43 ' HA ' HD11 ' A' ' 176' ' ' ILE . 47.7 ttm -56.51 -44.12 80.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.429 HH21 ' HA ' ' A' ' 171' ' ' ASP . 81.8 mtm180 -66.46 -34.89 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.22 -33.39 73.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 40.8 mt -70.6 -45.06 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.519 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.456 ' HA ' ' HE2' ' A' ' 181' ' ' MET . 14.2 ptm180 -74.88 -33.13 62.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.1 m -89.28 -59.71 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.119 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.3 -54.48 12.45 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.378 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.6 ' HD2' ' HG3' ' A' ' 122' ' ' PRO . 61.5 tttm -62.4 -33.69 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.504 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 177' ' ' ARG . 40.0 mtt -81.59 -12.62 58.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.498 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.683 0.278 . . . . 0.0 110.759 -179.916 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.78 0.324 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.45 137.44 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 tp -111.77 102.55 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -104.98 136.66 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.632 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.0 122.13 45.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.84 133.73 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.732 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.1 mm -112.57 130.11 66.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.753 0.311 . . . . 0.0 111.401 -179.792 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 95.8 mmm -78.85 90.57 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.253 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 91' ' ' LEU . 7.2 p -94.8 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 179.799 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.68 -162.81 28.42 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.41 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 78.0 p -60.64 -51.39 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . 137.65 31.3 0.24 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.255 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.75 57.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.55 -179.834 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.61 -16.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.061 179.783 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.04 43.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.413 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.6 mttt -56.36 -30.54 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 31' ' ' THR . 76.1 p -75.23 -28.98 60.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -52.07 67.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.037 -178.768 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 165' ' ' VAL . 1.7 mm? -61.24 -25.35 67.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.339 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.2 m -72.67 -42.21 64.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.636 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.28 -30.09 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.28 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.2 mm100 -76.56 -38.02 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -72.76 -41.78 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.755 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.468 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 71.4 mtp -81.75 -49.55 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.071 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -103.42 -20.34 14.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.8 t70 58.88 43.04 18.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.178 0.513 . . . . 0.0 110.053 -179.472 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.5 127.72 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.07 106.02 12.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.621 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.79 141.41 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.24 101.64 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.711 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -141.61 136.72 31.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.949 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -140.86 142.04 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -148.35 148.02 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.1 145.35 98.64 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.565 2.177 . . . . 0.0 112.002 179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.446 ' HB ' ' HG1' ' A' ' 69' ' ' THR . 32.3 m -131.23 100.5 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -58.46 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.08 4.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.99 130.96 36.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 p -113.19 171.82 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 33.5 m-85 -103.46 149.77 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.863 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -141.4 131.54 24.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -157.36 151.92 25.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.126 179.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.593 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 30.9 mmtm -105.03 135.61 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.183 -179.572 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.7 147.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.89 140.02 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.7 tp -141.79 103.36 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 55.73 31.26 17.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.739 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.3 -29.32 11.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.411 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -95.38 120.92 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -92.28 121.03 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.46 152.2 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.593 ' HG2' ' HD2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -81.05 130.31 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -116.77 145.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.632 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -133.01 127.29 33.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.06 142.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -135.42 119.27 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.14 150.29 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.446 ' HG1' ' HB ' ' A' ' 46' ' ' THR . 26.9 m -142.08 -74.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.83 -171.07 1.28 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.936 179.449 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 56.1 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.821 0.343 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 33.5 ptt180 -64.54 -42.17 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 179.702 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 9.8 m-20 -61.25 -30.81 70.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.431 . . . . 0.0 110.279 179.552 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.0 m-20 -53.05 -34.69 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -74.43 -47.79 31.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.539 -179.515 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.462 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.1 m-85 -63.35 -26.02 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -82.31 -10.86 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.111 -179.581 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.6 m -90.17 4.9 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.46 159.03 21.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.78 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -111.75 169.63 13.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.278 179.76 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 65.5 m-85 -133.85 146.5 50.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 111.187 -179.779 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.587 HD11 HG21 ' A' ' 168' ' ' VAL . 0.8 OUTLIER -131.07 101.68 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.663 179.775 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.577 HD22 ' HB ' ' A' ' 104' ' ' THR . 12.1 tp -82.25 131.77 35.23 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.713 0.292 . . . . 0.0 110.753 -179.537 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.5 t -138.1 136.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.601 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.5 p90 -140.13 147.88 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.23 178.564 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -88.78 129.99 35.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.185 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.45 HD13 ' HE ' ' A' ' 136' ' ' ARG . 3.2 pt -65.89 -30.12 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.098 179.414 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.461 ' HG1' ' HZ1' ' A' ' 129' ' ' LYS . 62.9 p -68.96 -17.14 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.477 179.342 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -124.69 98.12 5.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.736 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.78 -16.19 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.18 -25.78 60.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -68.54 -52.37 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.57 -36.04 55.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.768 -179.787 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.8 p -72.15 -53.67 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.835 -178.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.13 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.901 0.382 . . . . 0.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.8 p -54.38 -33.26 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.738 179.271 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -68.47 -32.35 72.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.49 -38.18 86.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -58.21 -23.29 55.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.714 179.922 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.514 ' NH1' ' HB3' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -47.26 -49.53 23.31 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.12 -40.56 82.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.32 -26.76 65.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 80.8 mt -70.45 -43.98 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.8 mmp_? -56.66 -50.51 71.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 115' ' ' LYS . 4.6 m -70.06 -11.61 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.233 -179.877 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.9 mmtt -126.78 67.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 179.776 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.41 -20.33 37.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.11 -55.69 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HG2' ' HE3' ' A' ' 180' ' ' LYS . 9.4 tp10 -67.73 133.75 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.1 -14.38 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 13.3 mptt -109.07 96.47 6.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.809 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.07 105.27 56.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.659 179.469 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.419 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.2 Cg_endo -62.87 130.79 30.48 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.383 2.055 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -139.31 161.38 37.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.55 124.02 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 179.437 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 154' ' ' TYR . 3.4 p -98.68 141.91 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.047 0.451 . . . . 0.0 111.756 -179.276 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.573 HG13 HG12 ' A' ' 168' ' ' VAL . 7.4 t -143.32 157.15 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.617 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.423 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -127.97 127.9 5.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -94.37 -171.81 2.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HZ1' ' HG1' ' A' ' 96' ' ' THR . 11.2 mmmm 60.08 15.46 5.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.489 ' HG ' HH21 ' A' ' 136' ' ' ARG . 45.8 t -61.13 -13.34 16.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.773 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.15 -3.13 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.707 179.851 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 135' ' ' ARG . 44.5 mt -120.4 85.87 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.85 -27.94 63.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.62 -34.23 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -89.82 -2.28 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.803 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.489 HH21 ' HG ' ' A' ' 130' ' ' SER . 46.3 ttm180 -67.8 108.23 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.16 179.535 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 29.5 mm-40 -87.58 -27.79 22.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.549 -179.186 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.4 t -96.75 106.97 33.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.248 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 36.7 Cg_exo -58.08 125.04 17.35 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.078 1.852 . . . . 0.0 111.218 179.091 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -46.21 -43.25 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.545 -179.408 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.77 -48.92 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.167 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.6 -36.83 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.39 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.9 mtt180 -65.82 -44.01 86.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.57 -179.564 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.9 t -59.98 -53.45 57.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -46.59 88.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 -179.717 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.96 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.472 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.67 -31.65 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.521 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.9 -48.41 70.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.679 0.276 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.514 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 8.4 m0 -69.18 -7.75 39.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 179.768 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.89 27.36 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.003 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.65 168.1 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 0.0 111.377 -179.606 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -113.91 131.38 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.746 178.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.463 ' HA ' HG13 ' A' ' 125' ' ' VAL . 41.1 t80 -94.58 137.47 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 111.015 -179.527 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.51 152.62 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.714 -179.444 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.86 137.25 32.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.381 179.611 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.477 HG21 ' HB2' ' A' ' 164' ' ' ASN . 64.6 p -146.78 157.31 43.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.086 0.47 . . . . 0.0 112.034 -179.334 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 m -129.11 110.93 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.43 179.371 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.65 -5.3 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.589 -179.937 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -94.5 -37.06 11.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.8 p -95.53 -6.19 41.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.38 -179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.415 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 35.42 38.47 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.572 0.545 . . . . 0.0 111.626 -179.81 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.65 5.2 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.477 ' HB2' HG21 ' A' ' 157' ' ' THR . 3.2 m-20 -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.7 p -56.49 -39.05 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.82 -34.94 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.948 179.543 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -56.49 -30.66 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.949 -179.083 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.587 HG21 HD11 ' A' ' 90' ' ' LEU . 2.8 m -73.05 -31.66 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 111.391 -179.375 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.56 -41.45 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -71.92 -40.82 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.045 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.07 -45.4 90.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.3 tp -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 179.788 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.8 ttm -57.5 -41.01 79.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.133 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.55 -32.24 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.6 mt -72.5 -32.81 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -75.54 -42.3 52.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.569 -179.831 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.0 m -87.11 -59.33 2.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -178.324 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.44 -54.97 10.17 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.276 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.5 tptm -58.42 -37.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.85 -15.42 54.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.7 0.286 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.937 -179.985 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.653 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.85 164.11 14.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.3 tp -135.98 110.28 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.6 129.96 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.2 mttm -107.43 123.17 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.265 -179.653 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.8 130.79 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.6 112.13 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.477 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.545 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 5.6 mmt -62.26 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.495 179.363 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 p -99.39 157.99 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.719 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' HG23 ' A' ' 104' ' ' THR . . . -178.23 -162.32 27.81 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.651 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -64.57 -33.09 75.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.3 21.79 4.32 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.258 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.12 69.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 93' ' ' PHE . 78.5 t -127.76 -77.51 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.658 0.266 . . . . 0.0 111.162 -179.728 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.23 39.6 0.02 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.639 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 7.2 ptpp? -69.46 -35.56 75.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 97.6 p -57.58 -30.75 65.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.296 179.858 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.37 -54.11 23.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.091 -178.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.5 mm? -60.1 -24.76 64.9 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.645 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 65.3 m -64.56 -47.32 79.18 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 179.73 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.89 -36.87 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.368 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.5 mm100 -56.43 -36.64 69.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -72.77 -25.13 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 179.86 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.67 -49.7 10.17 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.299 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.67 -6.87 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.0 m-20 58.15 38.88 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.067 0.46 . . . . 0.0 110.527 -179.688 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.436 ' C ' HE22 ' A' ' 33' ' ' GLN . 44.1 tt0 -149.86 135.31 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.548 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' H ' HH11 ' A' ' 162' ' ' ARG . 60.3 t80 -85.43 118.98 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.444 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.6 t -132.04 142.48 42.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.25 -38.77 92.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.454 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.3 m-20 -57.4 121.38 10.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -109.0 166.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.21 102.76 11.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.95 157.99 53.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.268 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.511 HG23 ' HA ' ' A' ' 68' ' ' ASP . 87.4 m -95.11 138.38 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.3 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -142.99 -44.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.89 -19.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.17 132.28 38.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -110.97 164.12 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 54.9 m-85 -104.06 145.58 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.654 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -147.91 146.38 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -165.85 142.54 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.497 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.38 121.96 28.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.6 m -137.54 143.41 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.875 179.596 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -90.24 139.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.016 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD21 HH11 ' A' ' 177' ' ' ARG . 55.3 tp -143.87 120.79 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 56.88 30.99 18.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.02 -31.7 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.84 123.27 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.8 tt0 -80.7 112.55 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.139 -179.699 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.39 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -87.6 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.723 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.59 142.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.556 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 23.3 t70 -123.55 118.22 26.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.974 -179.837 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.11 120.3 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD11 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -132.73 138.05 47.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.567 ' N ' HD11 ' A' ' 67' ' ' LEU . 18.2 t70 65.17 98.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 75.3 p -132.14 37.32 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -179.695 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.36 162.26 41.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.391 179.865 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.422 ' NH2' HE22 ' A' ' 110' ' ' GLN . 23.9 ptt180 -69.67 -35.83 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.439 179.779 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 11.3 m-20 -69.45 -31.09 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -50.46 -34.82 26.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.158 179.657 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -60.15 -42.43 94.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.4 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.0 m-85 -63.23 -39.22 93.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HB2' ' HB ' ' A' ' 114' ' ' VAL . 36.7 ttm180 -68.94 -15.94 63.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -81.28 -18.52 45.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.396 -179.558 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.76 157.3 15.48 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.776 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 10.8 mm-40 -96.81 -13.48 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 110.651 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.414 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -127.69 158.34 21.27 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.097 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 34.7 m-85 -135.46 131.97 36.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.521 HD22 HG23 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -122.02 106.82 11.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.784 179.758 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.589 HD12 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -82.76 118.84 23.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.521 HG23 HD22 ' A' ' 90' ' ' LEU . 3.3 t -126.5 131.03 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.707 -178.855 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.5 p90 -139.93 -176.81 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.715 179.019 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.6 t -124.02 141.57 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 129' ' ' LYS . 18.5 pt -71.52 -34.4 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.938 179.726 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.7 p -65.9 -27.88 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.816 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -108.38 98.7 8.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.2 -17.74 62.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.32 -26.97 60.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.003 0.43 . . . . 0.0 110.909 -179.499 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -68.38 -54.05 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.445 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.71 -39.96 71.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.735 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.71 -53.78 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.319 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.87 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.139 -179.455 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.589 ' HB ' HD12 ' A' ' 91' ' ' LEU . 6.9 p -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.375 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.47 76.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.15 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.752 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 35.1 m-85 -62.14 -26.72 68.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.68 -179.832 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.4 tmt_? -51.33 -48.74 62.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.74 -29.08 65.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.422 HE22 ' NH2' ' A' ' 79' ' ' ARG . 85.8 mt-30 -70.84 -26.68 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.457 -179.579 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.5 mt -67.18 -41.78 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.297 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.94 -27.31 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.419 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.4 mmp_? -62.88 -50.18 71.91 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 84' ' ' ARG . 4.3 m -70.23 -11.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.88 37.62 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.48 -15.69 58.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.39 -179.969 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.7 -26.11 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.22 144.47 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.69 -52.93 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.22 118.19 20.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 50.8 mm -122.02 106.17 36.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.6 Cg_endo -66.6 117.88 5.09 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.884 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.57 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 15.9 tp -129.27 160.96 31.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.57 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 20.8 tp -163.36 113.52 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 179.26 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.567 HG22 ' HD1' ' A' ' 154' ' ' TYR . 1.4 p -88.61 139.71 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.354 -179.439 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.32 153.93 29.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.187 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.72 110.71 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.98 -167.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 95' ' ' ILE . 68.6 mmtt 58.55 15.57 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.344 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.443 ' HA ' HH21 ' A' ' 136' ' ' ARG . 66.9 m -59.61 -17.84 36.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.122 -179.679 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.56 -13.12 18.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 110.399 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.478 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.4 mt -113.23 76.25 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.79 -25.53 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.198 -179.538 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -84.76 -12.92 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.103 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 65.2 mtp180 -109.0 2.47 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.899 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.443 HH21 ' HA ' ' A' ' 130' ' ' SER . 40.7 ttm105 -66.86 109.94 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.997 -179.789 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -82.05 -27.99 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.107 -179.833 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.18 109.95 54.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.73 147.26 72.78 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.264 1.976 . . . . 0.0 111.765 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 95.1 t -58.67 -54.94 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.506 -179.703 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.89 -33.57 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -179.111 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.18 -45.41 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.12 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.6 mtt180 -71.49 -51.61 22.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -62.9 -29.34 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.243 179.612 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -64.53 -48.9 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.225 179.548 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.48 -50.87 61.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.399 -179.112 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.13 -31.61 20.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.762 -179.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 146' ' ' LYS . 46.7 mt-10 -52.37 -48.97 65.28 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.284 179.621 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . 0.46 ' CZ3' ' HE3' ' A' ' 146' ' ' LYS . 12.6 m0 -83.97 5.56 25.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.91 20.54 61.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.599 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.26 -179.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.171 0.51 . . . . 0.0 111.627 -179.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -125.04 134.71 52.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.628 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.567 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.6 t80 -95.66 143.25 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 0.0 111.794 -179.411 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.34 148.49 29.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . 0.402 ' HG2' ' HH ' ' A' ' 154' ' ' TYR . 42.3 mt-10 -89.51 141.41 28.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.4 p -144.23 153.11 41.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.905 -179.158 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.402 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 50.8 m -125.85 108.74 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.379 179.402 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -19.77 64.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.49 -31.32 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.402 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 48.4 p -95.98 -23.17 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.6 HH11 ' H ' ' A' ' 39' ' ' PHE . 13.8 mtm180 54.67 32.12 16.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.46 -55.3 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.49 30.72 2.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.1 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.521 ' O ' HG21 ' A' ' 168' ' ' VAL . 47.0 t -68.95 -47.8 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.514 178.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -72.03 -14.97 62.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.8 -31.3 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.524 -179.697 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 165' ' ' VAL . 7.3 m -85.91 -34.44 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.312 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -74.83 -44.48 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.417 -179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.14 -52.31 24.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.688 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.76 -42.75 68.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.915 -179.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -73.0 -35.35 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.69 -39.52 94.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.95 -34.88 79.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.8 mm-40 -64.87 -45.36 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.637 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 51.4 mt -58.09 -32.54 44.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.486 HH11 HD21 ' A' ' 57' ' ' LEU . 73.7 mtp180 -75.53 -52.66 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.818 -179.825 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.1 m -86.87 -59.37 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.417 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.8 tttp -58.13 -54.11 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.916 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 61.4 tttp -65.53 -57.71 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.354 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.7 mmt -60.8 -12.78 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.028 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 39.9 t . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.763 0.316 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.44 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.66 116.28 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -108.01 105.53 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -88.34 116.37 26.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.219 -179.435 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.08 135.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.576 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.36 114.41 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.404 -179.496 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.567 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -63.34 95.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.452 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.4 p -100.87 160.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.02 -157.41 29.43 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.807 -179.704 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 104' ' ' THR . 31.0 t -61.83 -53.72 51.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.706 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.32 -36.65 0.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.153 -179.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.76 79.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.099 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 93' ' ' PHE . 54.3 t -121.24 -60.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.9 27.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.103 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.4 mtmt -53.96 -47.21 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -66.39 -31.07 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.453 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.41 -52.83 50.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.763 -179.18 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -25.11 67.04 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.341 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 28' ' ' SER . 99.5 m -68.3 -44.2 75.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.021 179.713 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.23 -37.44 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.2 mm100 -58.95 -37.98 77.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -72.64 -25.12 61.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.772 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 tpp -80.57 -48.62 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -178.645 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.81 -5.95 19.4 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.412 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 57.06 29.66 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.937 0.399 . . . . 0.0 110.342 -179.515 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -154.2 153.1 31.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.777 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.412 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 64.5 t80 -87.11 105.6 17.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.631 179.843 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 142.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.646 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.31 142.76 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -155.48 -54.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.9 t80 62.26 108.49 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.61 98.52 5.35 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.18 124.18 15.66 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.534 2.156 . . . . 0.0 112.535 -179.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -72.03 143.72 49.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -142.09 -46.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.92 3.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.52 136.21 33.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -116.46 159.99 21.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -116.45 135.01 54.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.88 160.33 34.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.317 -179.864 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -166.13 162.98 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.18 128.43 56.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.94 0.4 . . . . 0.0 111.467 -179.598 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.531 HG22 ' HE3' ' A' ' 173' ' ' MET . 35.3 m -141.29 170.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.675 179.661 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.8 t -115.22 144.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.212 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.482 HD13 ' HE1' ' A' ' 173' ' ' MET . 14.3 mt -140.72 97.85 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.19 31.3 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.65 59.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.931 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' HB3' HH12 ' A' ' 177' ' ' ARG . 9.4 tp10 -117.83 118.91 33.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -93.0 120.07 32.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.337 -179.415 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -143.05 148.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -98.69 138.97 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -105.62 123.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 179.775 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -102.89 113.71 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 -179.788 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.4 mt -98.39 122.52 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.539 HD11 ' N ' ' A' ' 68' ' ' ASP . 3.1 tm? -138.37 137.89 37.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.658 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.539 ' N ' HD11 ' A' ' 67' ' ' LEU . 24.8 t70 65.5 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -164.39 9.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.566 -179.554 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.49 166.48 23.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.582 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.233 179.656 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.861 0.362 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -54.85 -56.44 19.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 179.857 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -53.98 -33.59 57.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.97 -41.65 98.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.134 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.03 -47.44 65.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -59.17 -30.14 67.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.758 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.408 ' N ' HG13 ' A' ' 114' ' ' VAL . 64.1 ttt180 -78.51 -23.7 46.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -76.36 -20.77 56.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.91 -161.78 22.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -140.08 -32.98 0.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -107.14 165.59 13.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.434 -179.97 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -140.57 137.85 34.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.319 -179.749 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 172' ' ' LEU . 16.7 mt -128.02 111.02 13.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.793 178.843 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.632 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.7 OUTLIER -81.82 130.33 35.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.438 -179.775 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.03 137.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.356 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.631 ' HB3' HG22 ' A' ' 104' ' ' THR . 10.8 p90 -160.39 149.43 17.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.036 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.419 ' OG ' HG13 ' A' ' 25' ' ' VAL . 42.2 m -95.18 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.042 0.448 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 HD11 ' HE ' ' A' ' 136' ' ' ARG . 12.9 pt -73.23 -34.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.767 179.435 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 132' ' ' LEU . 57.0 p -64.97 -28.08 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.02 179.774 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -107.27 95.0 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -63.11 -16.26 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.031 179.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.5 -26.85 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.241 -179.166 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 83.2 p -74.19 -48.32 29.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.51 -178.848 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.0 -42.77 49.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.115 0.483 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.1 p -72.21 -53.53 12.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.33 -179.412 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.89 73.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.611 -179.233 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.632 ' HB ' HD11 ' A' ' 91' ' ' LEU . 24.0 p -55.72 -31.51 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.23 70.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.205 -179.778 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.32 -40.63 93.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.66 179.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -64.93 -25.04 67.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -49.48 -44.44 45.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.68 -37.16 73.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.963 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -61.59 -29.33 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.06 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.215 -179.877 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.3 -26.39 65.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.772 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -50.6 -51.21 50.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.753 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.578 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.6 m -66.14 -34.69 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.578 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.3 mmtt -104.93 54.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.233 179.312 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.22 -39.18 56.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.625 -179.559 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.47 -41.42 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 62.94 121.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.611 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.35 -61.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.811 179.483 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.549 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 46.0 mmtm -145.05 89.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.903 179.167 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.47 109.49 36.53 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.691 -178.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 83.7 Cg_endo -81.82 135.46 8.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.398 2.065 . . . . 0.0 111.681 179.08 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.7 tp -151.05 165.82 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.262 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.461 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 28.0 tp -168.63 137.24 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.381 179.638 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.557 HG13 HD21 ' A' ' 91' ' ' LEU . 2.6 t -105.48 144.14 15.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 111.569 -179.503 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.446 ' HB ' HG13 ' A' ' 168' ' ' VAL . 7.8 p -139.88 132.35 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.2 179.547 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.33 106.08 2.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.053 179.332 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.8 -175.23 5.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.644 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 95' ' ' ILE . 69.0 mmtt 56.53 16.54 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.494 -179.904 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -61.1 -17.41 52.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.229 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.99 -17.98 42.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD12 ' HD3' ' A' ' 135' ' ' ARG . 63.1 mt -105.42 82.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 179.844 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . 0.52 ' HG2' HH22 ' A' ' 136' ' ' ARG . 32.0 mt-10 -72.99 -17.74 61.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -91.26 -21.32 21.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.818 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . 0.524 ' HD3' HD12 ' A' ' 132' ' ' LEU . 81.1 mtp180 -105.74 10.36 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.755 179.913 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.52 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.2 ttm180 -73.96 117.39 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -96.52 -29.44 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.82 111.77 61.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.28 128.5 22.83 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.095 1.864 . . . . 0.0 111.254 179.216 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.6 p -51.89 -44.72 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.314 -179.542 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -56.81 -47.31 80.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.51 -27.57 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.295 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.81 60.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.1 mtt180 -69.12 -38.18 78.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.05 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.3 t -65.25 -51.43 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.118 -179.585 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.31 97.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 -179.816 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.59 78.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.377 -179.907 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.38 -32.26 73.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.251 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -53.67 -43.09 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -69.72 -17.11 63.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.57 24.38 10.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.18 171.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.486 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.31 165.66 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.482 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -133.34 138.2 46.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 155' ' ' VAL . . . . . 0.636 HG11 ' HZ1' ' A' ' 167' ' ' LYS . 61.8 t -140.69 152.56 20.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.637 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.26 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.202 179.539 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 164' ' ' ASN . 43.6 p -143.96 157.62 44.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.033 0.444 . . . . 0.0 111.687 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.455 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 50.4 m -126.53 111.13 14.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.39 -3.39 2.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -91.98 -37.88 12.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.494 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 78.9 p -96.29 -3.39 44.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.007 179.858 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 162' ' ' ARG . . . . . 0.494 ' HG3' ' C ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.42 40.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.89 -179.718 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -56.13 4.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.853 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 164' ' ' ASN . . . . . 0.527 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.0 m-20 -112.21 15.37 20.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.395 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 165' ' ' VAL . . . . . 0.448 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.8 p -64.68 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.744 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -74.08 -14.82 61.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.3 179.562 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 167' ' ' LYS . . . . . 0.636 ' HZ1' HG11 ' A' ' 155' ' ' VAL . 6.1 tmmm? -67.31 -35.22 79.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.089 -178.937 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.4 m -72.51 -28.94 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.823 0.344 . . . . 0.0 111.083 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -74.85 -43.77 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.47 -50.18 47.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.772 179.568 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.32 -53.38 51.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.516 ' HB2' HD21 ' A' ' 90' ' ' LEU . 1.5 tm? -56.45 -44.99 81.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 173' ' ' MET . . . . . 0.531 ' HE3' HG22 ' A' ' 55' ' ' VAL . 22.8 ttp -56.88 -43.02 80.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HA ' ' HG2' ' A' ' 177' ' ' ARG . 70.0 mtm180 -69.95 -37.79 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.96 -34.99 79.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 176' ' ' ILE . . . . . 0.43 HG12 ' HG3' ' A' ' 122' ' ' PRO . 96.4 mt -72.67 -53.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.455 HH12 ' HB3' ' A' ' 60' ' ' GLU . 1.8 ptp180 -59.75 -30.16 68.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.396 -179.638 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 178' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 182' ' ' SER . 63.7 m -87.64 -59.65 2.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -179.456 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 54.9 tttp -70.44 -54.37 12.61 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.889 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.32 -38.64 80.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.673 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.0 mmt -81.6 -16.13 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.265 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 182' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 178' ' ' THR . 54.4 p . . . . . 0 C--N 1.331 -0.229 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.503 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.621 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 8.4 mp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.92 110.08 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 63' ' ' GLN . 62.1 tp -84.54 101.3 11.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.28 129.56 52.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -102.78 121.97 43.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.219 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.49 129.2 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -105.9 122.26 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.469 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -78.6 78.15 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.786 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -84.12 157.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 20' ' ' VAL . . . 179.43 -164.6 32.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.498 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -59.1 -56.26 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.69 -24.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.998 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.61 64.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.146 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG23 ' HA ' ' A' ' 93' ' ' PHE . 47.0 t -109.23 -72.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 0.0 111.288 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.2 39.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.104 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.99 -37.03 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.289 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.2 p -60.14 -29.56 68.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.01 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.529 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.7 -52.83 63.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.917 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 HD11 HG21 ' A' ' 165' ' ' VAL . 0.9 OUTLIER -63.34 -25.57 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.2 m -65.83 -43.02 89.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.422 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.16 -46.77 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.6 mm100 -55.66 -36.06 66.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 111.517 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.72 -27.08 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.77 0.319 . . . . 0.0 111.373 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.75 -49.75 9.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -117.23 -5.65 11.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-20 58.66 31.82 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -139.73 133.04 29.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.911 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -84.28 107.74 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.87 144.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.962 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -98.84 126.39 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -144.41 -31.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.7 t80 62.76 107.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.258 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -109.25 118.75 50.3 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.88 132.82 54.35 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.288 1.992 . . . . 0.0 111.885 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.4 m -118.84 141.3 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.351 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -157.57 -37.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.51 -17.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.4 127.27 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.9 p -117.36 170.57 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -109.49 126.06 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.81 140.23 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.982 0.42 . . . . 0.0 111.368 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -159.65 169.68 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.47 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -114.73 133.43 55.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 111.521 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -143.09 138.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.8 p -78.57 146.57 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.348 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD13 ' HE1' ' A' ' 173' ' ' MET . 24.3 mt -136.61 102.23 4.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 52.03 30.82 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.37 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 24.03 12.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.9 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -144.01 113.14 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -81.2 112.81 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 m -123.18 153.13 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.499 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 37.2 mt-30 -83.21 148.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 tt -134.81 116.2 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 111.142 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.11 114.19 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG22 HG23 ' A' ' 31' ' ' THR . 49.1 mt -101.4 138.35 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -140.85 101.21 4.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.82 146.45 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -124.04 123.27 39.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.297 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.97 -163.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.08 94.23 0.04 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.936 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 75.7 mt -81.8 3.59 25.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.569 0.223 . . . . 0.0 111.339 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.59 12.68 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.32 -54.93 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -62.48 152.85 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.51 -53.49 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.11 -6.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.79 -23.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.5 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 38.4 ptt180 -67.29 -37.17 82.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.86 -31.27 62.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.25 -43.89 75.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.8 -30.54 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.599 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -84.38 -32.29 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -80.79 -8.78 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.6 p -94.59 2.8 55.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.9 160.04 23.94 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -92.57 -52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.54 161.31 26.07 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.643 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -134.64 140.34 45.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.303 . . . . 0.0 110.755 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.93 103.71 7.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.548 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -83.29 96.82 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.578 HG23 HG12 ' A' ' 126' ' ' VAL . 13.0 p -107.8 131.76 57.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.62 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -136.33 -173.6 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.4 t -121.43 144.92 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.373 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.418 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.5 pt -78.46 -33.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.949 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -68.9 -19.69 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.72 97.81 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -63.11 -16.32 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.39 -26.6 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -67.76 -53.99 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.293 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.42 -35.93 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.763 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -72.21 -54.08 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.093 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.9 84.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.62 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.5 p -58.66 -31.73 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.18 79.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.49 -47.06 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.67 -29.69 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.104 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -51.06 -45.37 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.91 -30.16 66.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.45 ' HA ' ' HD2' ' A' ' 113' ' ' ARG . 76.3 mt-30 -68.61 -25.12 64.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.365 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.28 -44.95 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.3 -27.04 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.804 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' HD2' ' HA ' ' A' ' 110' ' ' GLN . 99.6 mtt180 -61.44 -48.64 80.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 115' ' ' LYS . 5.3 m -72.54 -12.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.7 mmtt -125.98 42.77 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -27.3 68.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.368 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.54 -31.45 47.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.95 163.67 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.08 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.26 107.63 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.18 104.96 46.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.27 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.3 Cg_endo -67.43 132.46 27.42 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.455 2.103 . . . . 0.0 111.907 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -148.94 155.65 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.8 tp -153.75 127.65 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.489 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.9 p -103.76 142.55 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.017 0.437 . . . . 0.0 111.396 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.578 HG12 HG23 ' A' ' 92' ' ' VAL . 13.8 p -151.74 152.97 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.825 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 126' ' ' VAL . . . -127.8 119.74 3.26 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.97 -162.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 58.46 12.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.635 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.0 m -61.25 -12.16 12.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.38 -4.38 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.96 78.33 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.406 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 38.7 mt-10 -72.54 -15.9 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.2 -14.67 26.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.355 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -113.94 17.01 18.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.172 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.3 ttm105 -82.4 113.3 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -88.69 -31.01 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.802 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.4 t -98.79 109.41 53.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.179 1.92 . . . . 0.0 111.483 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -54.46 -44.99 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.395 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.4 -43.09 99.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.99 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.0 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.509 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.8 mtt180 -71.4 -40.89 70.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.08 -52.92 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.669 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -47.26 87.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.377 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.438 ' HB2' HG13 ' A' ' 125' ' ' VAL . . . -66.42 -32.75 74.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.766 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.4 -32.38 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.712 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.17 -39.33 63.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.687 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.79 30.66 3.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.738 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.03 170.8 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 111.572 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -112.55 131.07 55.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.996 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.489 ' HD1' HG21 ' A' ' 125' ' ' VAL . 41.6 t80 -95.54 143.16 27.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.196 0.522 . . . . 0.0 111.88 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.23 153.66 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -93.39 145.08 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.4 p -148.36 159.54 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.45 . . . . 0.0 111.764 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.4 m -130.76 108.67 10.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.424 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.08 -3.73 8.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.37 -32.32 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.531 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 -18.23 21.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 50.64 29.4 4.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.54 4.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.09 19.2 18.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 33' ' ' GLN . 5.7 p -66.95 -41.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.41 -15.03 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -60.04 -42.33 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.877 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 165' ' ' VAL . 29.8 m -71.28 -26.73 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 111.658 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.412 ' O ' ' HG3' ' A' ' 173' ' ' MET . 69.2 m-85 -74.8 -48.07 27.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.402 ' HA ' ' HE2' ' A' ' 173' ' ' MET . 43.8 m-85 -71.53 -47.62 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.625 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.54 -38.62 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.454 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.7 -52.46 65.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.269 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.435 ' HE1' HD13 ' A' ' 57' ' ' LEU . 67.1 mtm -55.78 -46.13 78.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -57.62 -35.81 70.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.903 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -31.03 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.415 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.3 mt -72.71 -54.52 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 181' ' ' MET . 50.5 mtm180 -54.82 -33.04 61.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.1 m -87.3 -59.57 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -70.83 -54.39 11.75 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.415 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -57.84 -47.94 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -71.78 -12.46 61.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.401 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.3 t -70.49 -59.13 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 58.09 18.77 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -126.12 -70.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.523 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.418 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.608 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 8.8 mp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 159.48 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.56 108.74 8.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -111.09 150.39 29.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.2 mttm -125.43 112.6 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.106 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.74 131.55 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.46 113.7 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.599 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 84.6 mmm -67.95 98.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.756 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -110.93 157.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' HA2' HG21 ' A' ' 104' ' ' THR . . . 167.14 92.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.003 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.479 ' N ' HG21 ' A' ' 104' ' ' THR . 28.8 t 61.6 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.57 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.37 66.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.012 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.99 27.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.1 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.53 -30.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.23 41.09 0.48 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.254 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.42 -27.43 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 110.759 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 31' ' ' THR . 78.9 p -74.09 -29.5 61.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.628 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.09 -52.56 64.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.879 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 1.4 mm? -59.56 -24.83 64.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.5 m -72.59 -43.54 63.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.546 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.63 -33.67 71.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.364 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.511 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.3 mm100 -72.65 -36.17 67.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.969 0.414 . . . . 0.0 111.098 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -73.28 -46.55 49.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.508 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.7 mtp -82.51 -50.0 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.49 -24.64 16.56 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.2 m-20 59.4 41.33 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.537 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -141.23 133.55 28.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.783 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -98.9 112.86 24.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.581 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.0 t -133.5 148.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -30.7 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.581 ' H ' HG12 ' A' ' 40' ' ' VAL . 19.0 t70 -64.56 155.81 31.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -133.95 155.25 50.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -120.04 99.19 48.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.91 156.67 14.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.516 2.144 . . . . 0.0 112.296 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 48' ' ' ALA . 30.4 m -71.54 116.76 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -94.17 28.48 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.553 ' H ' HG23 ' A' ' 46' ' ' THR . . . 61.99 20.2 11.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.228 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.28 135.61 54.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 t -92.02 176.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -119.34 152.54 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -143.96 131.92 21.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -150.02 150.22 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -98.66 118.16 34.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.2 m -136.4 139.32 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.747 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.3 p -77.61 138.28 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.583 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD22 HH11 ' A' ' 177' ' ' ARG . 54.6 tp -135.51 112.1 10.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 57.2 30.85 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.12 -33.38 5.82 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.828 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 119.71 35.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.762 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.1 tt0 -79.4 137.11 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.15 150.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.875 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.28 130.71 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD13 ' HE2' ' A' ' 173' ' ' MET . 14.5 tt -108.42 138.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.2 t70 -117.45 113.37 21.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.57 134.75 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -141.8 107.52 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.64 145.91 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.003 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.9 p -129.37 116.82 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 172.11 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.989 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.53 102.36 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.79 34.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.598 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.16 -26.85 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 75' ' ' TYR . 6.3 t70 -84.11 -163.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.431 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 63.8 m-85 65.16 170.24 0.2 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -54.4 6.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.704 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.68 26.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.407 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.23 -17.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.195 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -51.89 -41.31 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -54.66 -32.33 59.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.36 -47.91 83.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.42 -28.53 70.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -84.99 -16.75 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.382 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -81.48 -21.7 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.3 t -95.89 1.56 53.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.09 120.31 4.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.569 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.96 -49.56 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.714 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.48 ' HA3' HD12 ' A' ' 176' ' ' ILE . . . -104.28 164.26 14.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.269 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -135.44 146.67 48.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.62 102.87 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.66 HD23 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.807 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 HG13 ' A' ' 126' ' ' VAL . 40.5 t -139.57 122.49 17.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.539 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' HB3' HG22 ' A' ' 104' ' ' THR . 15.4 p90 -128.41 144.81 51.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.836 0.351 . . . . 0.0 110.502 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -87.95 147.59 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.7 pt -78.36 -35.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.5 p -68.0 -19.63 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.74 99.47 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.02 -16.93 61.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.01 -26.54 62.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 m -67.9 -54.4 19.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.436 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' HA ' ' HG1' ' A' ' 104' ' ' THR . 18.2 t80 -58.12 -35.41 71.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.699 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.0 p -71.98 -53.83 11.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.671 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.02 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.66 ' HB ' HD23 ' A' ' 91' ' ' LEU . 12.4 p -58.49 -36.08 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.581 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.54 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 42.3 mt-10 -66.26 -48.95 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -57.26 -25.74 59.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.02 -50.3 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.94 -36.35 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 9.8 mm-40 -61.33 -28.65 69.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.01 -37.01 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -67.85 -26.19 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.626 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -50.44 -44.34 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.732 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.52 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -79.5 -49.2 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.52 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -87.3 32.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.37 -22.07 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -89.34 -19.6 25.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -81.47 147.88 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.7 -69.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -87.01 118.41 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 29.9 mm -103.11 104.99 43.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.305 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 24.2 Cg_endo -61.7 116.72 3.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.385 2.056 . . . . 0.0 111.769 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 46.5 tp -145.05 158.33 43.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.949 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.422 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 25.4 tp -159.46 128.51 5.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.392 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 154' ' ' TYR . 3.6 p -104.67 143.86 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.381 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.57 HG13 HG21 ' A' ' 92' ' ' VAL . 5.1 p -146.4 158.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -122.69 108.87 1.3 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -81.14 -170.53 2.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt 57.76 16.31 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 t -64.23 -15.06 59.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.24 -17.6 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.512 HD12 ' HD2' ' A' ' 135' ' ' ARG . 42.2 mt -105.92 84.07 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.635 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.457 ' HG2' HH22 ' A' ' 136' ' ' ARG . 40.9 mt-10 -72.58 -13.63 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.083 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.87 -28.7 16.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.303 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HD2' HD12 ' A' ' 132' ' ' LEU . 99.8 mtt180 -98.06 17.86 17.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.23 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.457 HH22 ' HG2' ' A' ' 133' ' ' GLU . 45.4 ttm105 -82.87 116.53 22.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.574 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -99.43 -24.03 14.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.37 102.16 20.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.381 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.9 132.44 44.99 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.055 1.837 . . . . 0.0 111.254 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.36 -43.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.721 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -55.46 -49.72 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.566 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.235 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.457 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.4 mtt180 -73.0 -37.91 66.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -64.79 -46.64 81.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.525 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.377 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 125' ' ' VAL . . . -69.19 -36.04 76.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.751 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.48 -32.53 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -51.76 -45.35 63.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -62.65 -25.5 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.52 18.18 10.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.254 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.74 -176.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.471 . . . . 0.0 111.287 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -124.47 132.53 53.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.473 ' HA ' HG12 ' A' ' 125' ' ' VAL . 48.2 t80 -101.14 141.83 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.11 0.481 . . . . 0.0 111.489 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.52 153.77 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.287 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.59 138.31 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -148.55 152.75 37.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.0 p -117.7 109.73 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.22 -8.53 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -79.19 -53.68 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.1 p -86.73 3.24 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.269 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.511 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.06 40.61 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.62 0.575 . . . . 0.0 111.9 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.43 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.174 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.402 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.5 m-20 -111.87 15.0 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.9 p -67.09 -34.09 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.717 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.27 -15.53 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.75 -39.95 95.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.193 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 111.695 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -74.74 -45.41 44.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.95 -39.62 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.2 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.458 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 14.4 t70 -59.53 -51.93 67.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.476 HD21 ' O ' ' A' ' 172' ' ' LEU . 1.4 tm? -56.77 -43.98 81.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.448 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 41.0 ttm -55.53 -41.38 73.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 92.4 mtm180 -69.8 -45.65 67.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.623 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -54.73 -48.99 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.491 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.4 mt -57.93 -32.17 42.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.51 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 173' ' ' MET . 82.7 mtp180 -74.12 -55.48 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.8 m -87.81 -58.79 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -59.19 -54.43 47.0 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 63.4 tttm -62.64 -55.85 23.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.6 mmt -60.22 -12.84 9.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.548 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.8 t -77.53 -50.65 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 61.31 178.55 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.69 -72.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.938 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.404 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.616 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.809 0.338 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 153.75 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -122.16 111.58 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.375 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -105.04 118.41 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.226 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.46 146.46 26.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 HD22 ' A' ' 172' ' ' LEU . 2.0 t -132.22 123.44 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.487 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.3 mm -107.08 107.78 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.17 105.02 2.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 91' ' ' LEU . 14.9 p -117.98 156.98 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.795 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.51 ' HA2' HD21 ' A' ' 91' ' ' LEU . . . 165.57 88.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.476 ' N ' HG21 ' A' ' 104' ' ' THR . 30.1 t 62.11 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.58 45.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.294 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.45 34.88 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.01 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.39 -69.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.95 38.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.252 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -55.99 -55.81 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 111.086 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -56.27 -31.31 63.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.85 -53.04 45.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.86 -24.84 67.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.9 m -67.18 -47.53 70.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.191 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.38 -29.56 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.6 mm100 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -72.77 -29.59 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.6 -49.79 9.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -107.9 -21.01 13.0 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.1 m-20 62.5 30.74 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.624 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -137.77 128.04 26.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.717 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -77.87 108.96 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG11 ' H ' ' A' ' 42' ' ' ASP . 21.3 t -109.82 151.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -86.38 12.52 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' H ' HG11 ' A' ' 40' ' ' VAL . 9.1 m-20 -120.98 120.62 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -103.08 -176.92 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.98 128.39 11.07 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 156.02 64.07 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.433 2.089 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -89.85 127.85 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -134.55 -62.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -172.41 1.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.95 133.67 39.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -117.83 174.23 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 36.8 m-85 -118.1 144.01 45.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.696 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.02 132.44 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -158.7 144.59 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -96.1 132.62 41.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.493 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.24 157.62 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.923 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.61 116.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 tp -120.69 112.91 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.554 ' HB2' HH12 ' A' ' 177' ' ' ARG . 11.4 m-20 56.36 31.26 18.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 20.38 64.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.869 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.53 114.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.68 112.78 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.507 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.39 144.04 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -81.1 143.51 32.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.323 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 HD13 ' SD ' ' A' ' 173' ' ' MET . 9.9 tt -115.82 131.08 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.611 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 19.8 t70 -115.82 116.18 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 84.2 mt -112.21 145.81 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.99 105.42 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -69.23 142.02 54.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.7 p -127.93 131.83 49.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.13 -160.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.23 98.05 2.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' HB2' ' HG2' ' A' ' 79' ' ' ARG . 6.8 mp -84.51 19.84 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.97 -13.73 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -75.56 173.6 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.06 -54.19 6.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.469 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.4 17.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.07 -16.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.364 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.413 ' HG2' ' HB2' ' A' ' 72' ' ' LEU . 76.4 mtm180 -46.52 -35.36 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -55.06 -41.47 71.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.366 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -54.79 -34.51 62.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -77.24 -22.16 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.698 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -84.52 -20.62 31.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -84.39 -15.45 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -89.64 13.81 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.14 171.45 24.18 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.685 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -114.92 -33.89 5.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.16 160.87 13.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.164 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.33 132.09 33.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.536 HD11 HG22 ' A' ' 168' ' ' VAL . 0.6 OUTLIER -119.33 99.18 6.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.57 128.11 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.644 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG21 ' HB ' ' A' ' 126' ' ' VAL . 54.0 t -141.88 128.09 19.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.557 ' HB3' HG22 ' A' ' 104' ' ' THR . 20.8 p90 -125.11 149.98 47.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.269 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.2 t -88.11 141.11 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.2 pt -75.41 -31.84 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 66.0 p -72.49 -12.32 61.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.853 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -126.09 100.18 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -63.06 -16.08 58.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.92 -26.69 61.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' THR . 90.2 p -69.07 -53.83 18.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.282 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.05 -35.92 62.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.449 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.56 -53.98 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.17 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.62 89.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.619 ' HB ' HD11 ' A' ' 91' ' ' LEU . 15.4 p -55.2 -44.72 75.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -45.88 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.0 -25.87 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.177 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.446 ' NE ' ' NE1' ' A' ' 150' ' ' TRP . 8.9 ttm180 -52.0 -46.52 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.93 -39.18 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -60.46 -26.99 67.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -40.64 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.142 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD21 HG13 ' A' ' 121' ' ' ILE . 41.1 mt -67.8 -26.23 65.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.632 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -50.61 -50.72 53.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.755 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -69.28 -35.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.86 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.615 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -106.04 37.85 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.114 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.16 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.309 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.66 -15.91 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.65 134.37 41.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.44 -50.9 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -87.11 122.64 31.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.466 HG13 HD21 ' A' ' 112' ' ' LEU . 38.0 mm -123.05 109.78 31.55 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.35 130.33 26.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.506 2.138 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -144.42 158.05 43.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.372 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.5 tp -166.13 124.7 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 154' ' ' TYR . 4.1 p -102.39 143.33 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.396 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.439 ' HB ' HG21 ' A' ' 92' ' ' VAL . 3.5 t -141.04 151.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.84 110.5 2.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.244 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.05 -179.32 7.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.797 0.332 . . . . 0.0 110.203 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 54.47 19.78 2.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.127 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.413 ' HG ' ' NH2' ' A' ' 136' ' ' ARG . 46.8 t -62.85 -10.51 13.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.61 -2.7 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.531 HD12 ' HD2' ' A' ' 135' ' ' ARG . 51.9 mt -118.94 79.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.57 -26.57 67.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -83.79 -8.16 59.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.168 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.531 ' HD2' HD12 ' A' ' 132' ' ' LEU . 98.8 mtt180 -119.85 17.51 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.234 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.413 ' NH2' ' HG ' ' A' ' 130' ' ' SER . 43.9 ttm180 -84.72 109.01 17.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.3 -32.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.9 t -92.49 101.86 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.75 132.98 55.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.154 1.903 . . . . 0.0 111.233 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -54.73 -45.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.765 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.8 pt-20 -55.17 -34.65 64.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.39 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.3 tt0 -75.66 -43.88 45.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.83 -28.54 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.287 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtt180 -74.69 -42.13 58.97 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.02 -36.46 81.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -43.84 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.05 -43.52 95.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.872 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.02 -32.17 20.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.361 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.55 -47.55 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.859 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.446 ' NE1' ' NE ' ' A' ' 108' ' ' ARG . 8.2 m0 -65.81 -13.37 59.37 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 110.728 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.89 26.43 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.634 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.23 -177.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 111.399 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.59 131.32 48.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.498 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.469 ' HA ' HG12 ' A' ' 125' ' ' VAL . 34.9 t80 -94.42 134.71 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.102 0.477 . . . . 0.0 111.281 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 10.1 p -130.53 152.23 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.432 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -90.66 136.4 33.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.41 HG22 ' HB2' ' A' ' 164' ' ' ASN . 82.5 p -147.38 153.17 39.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 0.0 111.716 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.6 m -126.58 109.03 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.91 -8.65 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -88.82 -40.24 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.7 p -96.34 -4.18 42.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? 34.51 41.69 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.997 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.89 -56.21 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.834 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.41 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.43 10.37 19.78 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.497 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.4 p -57.27 -43.25 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.76 -27.04 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.451 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -57.03 -31.42 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.176 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.536 HG22 HD11 ' A' ' 90' ' ' LEU . 4.9 m -81.34 -27.28 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -71.61 -48.1 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.604 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . 0.47 ' HA ' ' HE2' ' A' ' 173' ' ' MET . 29.1 m-85 -66.17 -30.3 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.93 -45.31 74.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.484 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.49 HD22 HG12 ' A' ' 17' ' ' VAL . 49.1 tp -57.21 -49.93 74.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.65 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' A' ' 170' ' ' PHE . 61.3 mtm -54.23 -49.74 68.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.742 0.306 . . . . 0.0 111.308 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.82 -34.71 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.776 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.21 -30.33 69.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.05 -54.93 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH12 ' HB2' ' A' ' 58' ' ' ASP . 61.7 mtp180 -55.62 -31.85 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.487 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.9 m -86.73 -58.69 2.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 55.6 tttp -70.44 -54.41 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.91 -55.55 33.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.0 mmt -63.08 -12.83 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.785 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t -81.25 -50.35 9.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.604 0.24 . . . . 0.0 111.397 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 60.99 -178.84 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.04 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.449 ' HB2' ' HZ2' ' A' ' 120' ' ' LYS . 25.9 t-20 -147.39 -75.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.872 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.403 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.15 143.43 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -115.4 118.99 34.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -103.88 153.06 21.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.14 146.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.03 128.47 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.586 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 HD12 ' HA3' ' A' ' 86' ' ' GLY . 21.8 mm -113.12 117.07 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.569 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.0 101.15 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.241 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -85.91 170.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 171.7 158.89 16.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.417 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.483 ' HB3' ' HA ' ' A' ' 100' ' ' SER . 77.7 p -50.22 -34.12 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.112 0.482 . . . . 0.0 110.74 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.93 -5.06 1.69 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.007 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.68 70.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.157 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.0 t -117.21 -66.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.319 . . . . 0.0 111.405 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.57 26.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.282 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.569 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.1 pttm -54.43 -52.72 60.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.337 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.471 ' O ' ' HB ' ' A' ' 31' ' ' THR . 90.8 p -61.1 -30.34 70.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.46 -53.58 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.422 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 0.9 OUTLIER -59.36 -24.96 63.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.487 HG23 HG22 ' A' ' 66' ' ' ILE . 31.8 m -63.95 -54.09 40.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.16 -30.01 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.106 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.4 mm100 -61.86 -37.46 84.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.93 -25.71 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.368 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.4 tpp -81.87 -49.72 10.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -104.89 -6.13 20.47 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 55.31 32.22 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -150.28 158.34 44.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.583 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 51.0 t80 -85.65 108.33 17.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' H ' ' A' ' 42' ' ' ASP . 60.7 t -114.87 130.59 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.2 -22.87 30.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' H ' HG13 ' A' ' 40' ' ' VAL . 6.6 m-20 -77.09 160.71 28.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.68 -177.82 4.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.22 148.05 43.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.45 148.37 63.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.42 2.08 . . . . 0.0 112.243 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -116.97 129.46 56.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.69 -39.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.45 4.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -77.48 129.74 36.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p -123.31 155.99 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.95 150.3 21.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -146.15 137.81 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -168.95 138.41 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.26 124.56 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.379 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.3 144.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -87.21 141.22 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -141.58 110.28 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 56.09 31.33 17.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.08 -35.15 4.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -89.96 113.93 25.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.5 tt0 -83.11 113.73 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -121.51 146.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.76 137.51 36.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.7 tt -110.95 143.38 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -132.02 113.2 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.296 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 31' ' ' THR . 83.1 mt -104.6 141.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.498 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -134.2 109.87 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.22 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -94.44 136.37 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -104.16 -173.39 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HA ' ' H1 ' ' A' ' 502' ' ' HOH . . . -144.77 176.86 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.28 99.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.45 5.49 8.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.573 0.225 . . . . 0.0 111.378 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 59.26 -86.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.216 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -171.92 125.38 0.56 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -142.67 -169.4 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.12 -54.27 11.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.545 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.7 25.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 mt -59.97 -18.68 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -65.16 -46.47 80.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.41 -31.06 54.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -52.76 -51.33 61.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.454 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -62.78 -47.89 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.217 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -62.35 -18.37 61.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -81.6 -45.98 15.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.259 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.5 t -77.49 11.32 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -121.95 167.94 14.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.786 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.85 -63.4 1.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.337 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.95 148.53 19.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.234 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.7 143.25 49.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.3 mt -130.01 111.45 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD12 ' HB ' ' A' ' 104' ' ' THR . 7.8 tp -82.27 138.75 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.95 125.22 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.478 ' HB3' HG23 ' A' ' 104' ' ' THR . 19.9 p90 -148.16 141.47 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.588 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.4 m -83.85 150.14 25.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.965 0.412 . . . . 0.0 111.101 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 136' ' ' ARG . 40.9 pt -76.84 -33.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.407 HG21 ' HG2' ' A' ' 97' ' ' GLU . 9.0 t -76.66 -19.91 57.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.407 ' HG2' HG21 ' A' ' 96' ' ' THR . 19.9 mm-40 -105.61 97.01 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.659 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.44 -20.29 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.14 -27.02 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.483 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 32.4 m -69.16 -53.85 17.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.301 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.28 -41.91 76.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.87 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -70.65 -53.41 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.181 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.63 94.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.323 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.555 ' HB ' HD12 ' A' ' 91' ' ' LEU . 20.4 p -57.4 -32.26 66.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.44 -31.71 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.678 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.29 -43.78 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -55.65 -25.0 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.93 -52.02 59.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.74 -37.36 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.17 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.431 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 12.4 mm-40 -56.5 -35.7 68.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.76 -40.32 86.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.3 -26.04 66.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.73 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 32.4 mmt180 -51.45 -50.86 58.94 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.476 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -68.52 -35.09 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 111.122 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.476 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.9 mmtt -97.24 60.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.695 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.65 -15.54 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.98 -23.96 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.415 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 8.9 tp10 -85.25 155.0 21.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.741 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -106.84 -67.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' HE2' ' HE3' ' A' ' 179' ' ' LYS . 12.4 tptm -76.82 108.78 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.324 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mm -105.35 116.81 59.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.445 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.34 117.66 5.19 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.267 1.978 . . . . 0.0 111.796 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -142.05 158.12 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.0 111.233 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.71 130.75 7.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.867 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.476 HG13 ' HB2' ' A' ' 147' ' ' ALA . 3.3 p -104.98 143.36 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 111.786 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.4 ' HB ' HG11 ' A' ' 168' ' ' VAL . 2.7 p -132.93 162.81 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.023 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.03 125.9 5.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.859 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -97.6 -179.46 4.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.798 0.332 . . . . 0.0 110.369 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.419 ' HB3' HD13 ' A' ' 132' ' ' LEU . 73.6 mmtt 56.75 25.34 10.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 73.8 m -62.62 -20.14 64.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.8 -3.42 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.4 mt -105.53 78.69 1.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.077 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.87 -19.04 61.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -93.79 -34.53 13.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.55 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 95.5 mtt180 -87.14 0.39 55.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.37 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HB2' HD12 ' A' ' 95' ' ' ILE . 43.8 ttm105 -59.72 107.99 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.913 0.387 . . . . 0.0 111.081 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -88.16 -28.37 21.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.442 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.9 t -113.5 107.75 52.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.883 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.62 126.07 21.15 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.212 1.941 . . . . 0.0 111.74 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.2 p -47.39 -43.06 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.81 -48.81 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.48 -34.72 78.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.716 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.01 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 72.5 mtt180 -75.76 -47.74 24.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -52.7 -41.44 63.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.565 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -76.72 -47.53 21.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.51 ' HA ' ' NZ ' ' A' ' 146' ' ' LYS . . . -51.12 -27.98 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.047 0.451 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.41 -32.08 69.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.924 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.452 ' HG3' ' HA ' ' A' ' 146' ' ' LYS . 30.3 mt-10 -50.46 -46.54 56.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 110.798 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.413 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 35.9 m0 -66.62 -24.7 66.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.43 19.41 9.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.393 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.94 178.23 3.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 111.728 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.64 127.18 53.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.696 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.452 ' HD1' HG23 ' A' ' 125' ' ' VAL . 33.2 t80 -94.83 141.88 28.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.45 . . . . 0.0 111.511 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.24 154.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -89.58 142.45 27.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -149.59 162.12 40.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.3 t -132.4 111.33 11.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.09 -6.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.54 -43.63 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 36.4 p -92.36 -7.82 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.322 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? 35.89 39.29 0.07 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.974 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.03 -56.07 5.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.468 ' HB2' HG23 ' A' ' 157' ' ' THR . 4.6 m-20 -112.29 15.89 20.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.13 -40.74 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.648 0.261 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.07 -14.53 61.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -62.3 -44.16 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.4 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.2 m -71.34 -31.9 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.775 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -68.26 -48.34 65.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.82 -40.5 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.376 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.02 -51.06 70.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.014 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.61 -40.47 91.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.9 ttp -56.68 -38.29 72.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.9 -34.2 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -59.04 -47.95 83.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 66.8 mt -57.51 -32.7 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -75.29 -57.51 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.3 m -87.38 -58.93 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.475 ' HE3' ' HE2' ' A' ' 120' ' ' LYS . 80.8 tttt -58.1 -54.08 51.05 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 55.7 tttp -63.15 -56.05 20.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.96 -12.77 20.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.6 t -73.62 -58.08 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 59.67 97.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -75.06 139.63 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 185' ' ' LYS . 12.5 mptt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.403 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.464 ' H1 ' ' HA ' ' A' ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.645 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.48 167.21 10.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.436 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 HD11 ' HZ1' ' A' ' 16' ' ' LYS . 3.0 tm? -136.78 100.36 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.321 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' NE2' ' HG2' ' A' ' 177' ' ' ARG . 74.5 m-70 -106.92 128.17 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.779 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HZ1' HD11 ' A' ' 14' ' ' LEU . 67.0 mttm -100.33 138.23 37.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.2 140.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.019 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.9 mm -106.54 129.73 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 tpt -82.03 104.5 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.639 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.3 t -92.92 163.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.75 164.18 26.93 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.377 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 17.9 t -49.54 -45.93 48.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 111.035 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.28 -3.97 1.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.228 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.72 18.68 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.429 HG22 ' HB3' ' A' ' 22' ' ' SER . 72.3 t -73.4 -71.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.18 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.19 45.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -49.77 -48.2 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.383 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.462 ' O ' ' HB ' ' A' ' 31' ' ' THR . 98.0 p -63.91 -29.88 71.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.408 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.68 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.201 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.13 -24.87 67.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 ' HB ' ' O ' ' A' ' 28' ' ' SER . 74.5 m -71.36 -41.28 69.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.663 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.89 -44.59 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.479 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -57.84 -39.3 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.379 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.26 -25.58 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 tpp -82.32 -50.24 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -108.59 -9.94 15.27 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 23.3 t70 60.9 32.47 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 0.0 110.469 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -149.15 154.93 39.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -92.23 108.25 19.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.97 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.25 142.87 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.63 101.97 14.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.05 130.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -140.46 137.42 33.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -122.96 138.7 30.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.57 ' HB2' ' HZ2' ' A' ' 47' ' ' LYS . 31.9 Cg_exo -58.87 153.68 49.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.313 2.009 . . . . 0.0 112.185 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -82.01 104.58 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.57 ' HZ2' ' HB2' ' A' ' 45' ' ' PRO . 41.9 mmtm -111.17 42.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 63.71 11.95 6.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.308 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.64 125.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.779 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.9 p -111.79 158.95 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -95.33 160.53 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -145.46 130.44 18.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -138.71 150.14 45.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -104.84 131.95 51.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.966 0.412 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -147.34 138.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -81.47 135.47 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD13 ' HE3' ' A' ' 173' ' ' MET . 69.6 mt -133.35 108.25 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 54.25 30.73 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.26 -34.29 5.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.831 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -90.15 113.57 25.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.9 tt0 -84.06 118.94 24.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.642 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -116.68 173.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.247 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -109.6 142.75 40.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.441 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -114.74 128.03 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -113.26 117.08 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.9 mt -114.45 138.93 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -138.16 130.58 29.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.96 116.45 28.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.2 p -80.91 -20.16 42.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -174.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.78 104.66 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' HG2' ' A' ' 79' ' ' ARG . 84.7 mt -72.94 0.56 10.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.814 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 60.45 -90.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.195 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -151.25 129.35 11.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.764 0.316 . . . . 0.0 111.322 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -152.83 -175.43 5.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.42 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.635 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.72 22.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.437 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -56.97 -18.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HG2' HD11 ' A' ' 72' ' ' LEU . 91.0 mtt180 -59.29 -48.77 80.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.03 -34.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.48 -34.66 71.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -75.52 -33.53 60.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.728 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -79.31 -19.62 49.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.357 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -83.54 -4.97 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.244 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -105.52 -1.67 24.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.404 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -117.69 157.11 15.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.815 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.443 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 44.9 mt-10 -104.79 -8.68 18.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.99 159.46 23.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -136.56 133.75 36.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.575 0.226 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.64 109.45 9.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.949 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.639 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 3.5 tp -83.51 132.21 34.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.718 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.458 HG23 HG12 ' A' ' 126' ' ' VAL . 26.4 t -136.91 139.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.533 ' HB3' HG21 ' A' ' 104' ' ' THR . 18.4 p90 -157.23 146.96 20.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.3 m -86.89 153.71 21.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.489 HD13 ' HE ' ' A' ' 136' ' ' ARG . 10.9 pt -78.55 -40.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.161 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.468 ' HG1' ' HZ2' ' A' ' 129' ' ' LYS . 18.3 p -56.4 -27.11 55.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -109.25 86.79 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.0 -16.83 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.17 -27.05 60.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.208 0.527 . . . . 0.0 110.084 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.558 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 49.7 m -63.08 -47.82 81.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.493 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.57 -40.34 71.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.017 0.437 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.6 p -71.54 -51.59 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.691 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.148 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.58 ' HB ' HD12 ' A' ' 91' ' ' LEU . 13.3 p -57.06 -31.81 65.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.058 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.64 -44.21 91.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -60.81 -25.73 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.31 -41.95 66.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.56 -35.97 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -61.88 -35.43 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.39 -42.46 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.577 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.51 -26.27 66.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.868 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -57.06 -51.38 69.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 111.601 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.515 HG21 ' HG2' ' A' ' 115' ' ' LYS . 13.9 m -68.09 -24.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.045 0.45 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.515 ' HG2' HG21 ' A' ' 114' ' ' VAL . 74.1 mmtt -118.82 57.15 0.88 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.384 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.31 30.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.417 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.41 -49.52 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.158 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 54.76 99.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.075 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.11 -43.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.822 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.06 81.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 15.8 mm -88.9 109.73 32.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.594 -179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.58 97.22 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.458 2.105 . . . . 0.0 111.522 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.423 ' HB3' HG12 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -122.83 149.59 43.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.3 tp -158.61 125.54 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.218 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.476 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -102.92 143.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.996 0.427 . . . . 0.0 111.888 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' A' ' 168' ' ' VAL . 9.5 p -143.51 160.03 16.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.975 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.45 136.97 13.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.105 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -107.93 -179.16 3.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HZ1' HD11 ' A' ' 132' ' ' LEU . 2.7 mmmp? 54.1 22.53 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -65.65 -8.62 21.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -4.42 7.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.49 HD11 ' HZ1' ' A' ' 129' ' ' LYS . 29.0 mt -121.46 81.24 1.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.065 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -12.58 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.652 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -93.89 -8.73 39.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -121.62 15.54 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.489 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.1 ttm105 -77.81 108.27 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.07 -32.77 18.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 138' ' ' VAL . 2.5 p -95.47 101.67 8.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.453 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 24.3 Cg_endo -61.93 131.68 36.14 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.143 1.895 . . . . 0.0 111.738 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.451 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -52.91 -41.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.5 -49.88 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.555 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.0 tt0 -72.59 -29.54 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.55 -28.57 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 31.7 mtt180 -73.85 -41.61 62.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.2 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -61.74 -45.52 93.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -47.6 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.949 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.428 ' HB2' HG11 ' A' ' 125' ' ' VAL . . . -66.97 -29.13 68.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.94 -32.25 73.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -51.9 -43.49 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.78 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -64.49 -24.93 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 27.41 5.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 123' ' ' LEU . 31.4 m -128.49 -178.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.274 0.559 . . . . 0.0 112.193 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -120.06 144.91 47.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.102 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.476 ' HD1' HG23 ' A' ' 125' ' ' VAL . 34.5 t80 -113.63 138.27 50.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.228 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.87 153.73 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.401 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.489 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.4 p -149.68 163.03 39.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.991 0.425 . . . . 0.0 111.614 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -127.39 110.9 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.522 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.18 -8.99 9.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.567 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.61 -45.09 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 56.0 p -87.38 -5.71 58.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 34.96 40.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.011 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.67 -56.28 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.855 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.489 ' HB2' HG22 ' A' ' 157' ' ' THR . 91.1 m-20 -112.41 18.63 18.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 168' ' ' VAL . 6.3 p -65.6 -39.09 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.8 -15.29 61.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -59.9 -38.17 81.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.871 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.484 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 33.9 m -76.96 -29.37 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -72.66 -44.74 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -72.0 -45.36 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.2 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.38 -47.65 83.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.75 -37.77 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.525 ' HE3' HD13 ' A' ' 57' ' ' LEU . 20.7 ttp -58.47 -49.18 78.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -58.54 -34.62 71.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.3 mm-40 -63.6 -49.49 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.6 mt -57.79 -32.11 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 181' ' ' MET . 49.1 mtp180 -74.55 -54.78 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.677 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.434 ' O ' ' HB3' ' A' ' 182' ' ' SER . 75.4 m -87.98 -59.41 2.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.7 tttt -58.57 -54.12 50.65 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 65.1 tttm -65.93 -38.89 89.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.475 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.8 mmt -81.09 -12.55 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.78 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 178' ' ' THR . 88.6 p -76.68 -52.36 9.78 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 61.46 169.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -87.23 -42.92 12.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.042 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.636 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.1 158.13 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -117.6 121.6 41.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.041 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -116.82 149.49 39.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -126.86 102.72 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.033 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.78 127.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 ' HA3' ' A' ' 86' ' ' GLY . 25.6 mm -101.1 126.18 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.6 tpt -79.06 94.26 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.584 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -80.09 166.97 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.445 ' H ' HG13 ' A' ' 20' ' ' VAL . . . 178.18 157.92 19.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.393 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB3' HG21 ' A' ' 104' ' ' THR . 56.6 p -55.12 -49.74 70.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.49 -25.88 0.59 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.209 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.85 60.95 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.206 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG23 ' HA ' ' A' ' 93' ' ' PHE . 53.5 t -118.73 -69.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.693 0.283 . . . . 0.0 111.365 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.42 47.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 16.2 ptpt -54.37 -38.66 66.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 110.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 31' ' ' THR . 66.3 p -67.02 -29.8 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.161 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.4 65.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.061 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.53 -24.8 67.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 28' ' ' SER . 63.8 m -73.9 -39.08 64.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.752 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.93 -49.14 48.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.717 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.493 ' HB2' HG23 ' A' ' 165' ' ' VAL . 15.9 mm100 -53.73 -35.89 61.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.279 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.578 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.2 ttm -82.16 -50.24 9.25 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.04 -15.8 9.23 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.91 58.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.309 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -151.23 127.59 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.95 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -93.32 107.39 19.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG21 ' H ' ' A' ' 42' ' ' ASP . 14.8 p -131.62 147.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.75 -13.58 61.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.619 ' H ' HG21 ' A' ' 40' ' ' VAL . 19.1 t70 -76.66 149.26 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -150.68 149.46 29.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -115.43 123.47 31.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.33 153.6 70.67 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.326 2.017 . . . . 0.0 112.178 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.491 ' HG1' ' HB2' ' A' ' 68' ' ' ASP . 99.9 m -117.42 127.23 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -105.65 -51.2 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.43 -2.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.911 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.37 136.93 37.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -115.09 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -113.6 141.2 47.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.303 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -145.99 136.0 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.333 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.81 172.23 17.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.534 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.86 128.59 56.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.15 137.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.877 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.53 139.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 HD21 HH11 ' A' ' 177' ' ' ARG . 53.5 tp -137.08 105.72 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 32.65 19.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.43 -33.52 6.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.359 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.82 114.16 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -85.44 130.78 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.76 149.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 tt -109.14 137.3 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.6 t70 -121.91 114.23 20.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.41 140.29 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 111.569 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -129.72 113.62 14.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.491 ' HB2' ' HG1' ' A' ' 46' ' ' THR . 7.0 m-20 -93.79 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -138.12 177.66 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.01 -171.48 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.8 98.96 0.99 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.314 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 HD21 ' HG3' ' A' ' 79' ' ' ARG . 7.6 mp -58.14 -67.84 0.31 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 61.74 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.628 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.42 -45.95 47.01 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.299 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -62.5 137.9 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.325 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.04 39.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.051 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.3 64.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mt -85.71 -16.3 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.477 ' HG3' HD21 ' A' ' 72' ' ' LEU . 98.1 mtt180 -46.69 -47.48 20.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.225 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -53.44 -35.77 60.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.82 -48.52 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -59.32 -50.06 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.411 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.82 -18.9 63.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.184 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -77.77 -35.77 51.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -81.32 1.1 34.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -116.4 160.03 13.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.838 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.67 -62.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.562 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.33 163.34 32.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.246 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.9 143.07 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 0.0 111.055 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -134.03 110.66 9.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.584 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 8.4 tp -82.26 136.44 35.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.253 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.433 HG12 HG13 ' A' ' 126' ' ' VAL . 26.9 t -135.52 134.57 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.561 ' HB3' HG23 ' A' ' 104' ' ' THR . 12.5 p90 -152.31 154.67 36.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.474 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.466 ' HG ' ' HG2' ' A' ' 129' ' ' LYS . 52.5 m -100.98 149.56 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.024 0.44 . . . . 0.0 111.319 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.481 HD12 ' HE ' ' A' ' 136' ' ' ARG . 8.6 pt -75.43 -34.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.877 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -58.18 -40.62 81.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.672 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.26 100.45 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.693 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -62.83 -17.78 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.7 -26.82 60.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.445 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.1 m -63.69 -53.87 44.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.59 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.69 -38.92 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.833 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -71.41 -53.42 14.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.074 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 22' ' ' SER . . . -60.21 -43.44 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.147 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.572 ' HB ' HD13 ' A' ' 91' ' ' LEU . 8.7 p -53.86 -37.42 63.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 110.645 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.35 67.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.0 -44.1 97.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.94 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -55.82 -31.27 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.433 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.51 -48.51 62.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.87 -40.22 72.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -60.23 -25.51 65.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.9 mt -69.79 -39.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.56 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.28 -26.39 66.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.724 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -51.12 -50.98 57.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.751 0.31 . . . . 0.0 111.762 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.585 HG21 ' HG2' ' A' ' 115' ' ' LYS . 7.1 m -69.67 -41.99 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.659 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.2 mmtt -93.23 31.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.313 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.94 -20.43 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.33 -19.29 22.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.91 177.46 6.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.34 -72.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -70.06 125.28 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.1 mm -123.57 104.37 34.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.312 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.96 123.42 12.56 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.422 2.081 . . . . 0.0 111.761 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.5 tp -144.28 156.34 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 tp -163.41 125.93 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.445 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -101.24 143.83 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.433 HG13 HG12 ' A' ' 92' ' ' VAL . 13.0 p -140.38 148.12 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.94 131.43 10.55 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.908 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -100.34 -176.47 3.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.466 ' HG2' ' HG ' ' A' ' 94' ' ' SER . 46.0 mmtm 56.84 23.4 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -60.2 -26.21 66.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.685 0.279 . . . . 0.0 111.479 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.26 -8.89 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.483 HD11 ' HD2' ' A' ' 135' ' ' ARG . 50.2 mt -112.35 79.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.71 -29.15 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -76.79 -17.65 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.483 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.9 mtt180 -106.9 9.43 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HE ' HD12 ' A' ' 95' ' ' ILE . 43.3 ttm105 -77.88 113.22 15.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -93.99 -30.33 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.03 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.92 107.86 59.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.416 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -62.6 144.99 95.22 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.177 1.918 . . . . 0.0 111.375 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -55.68 -43.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.818 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.78 -49.58 74.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.64 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.61 -30.97 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.07 55.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.1 mtt180 -68.04 -44.51 76.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.375 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -61.19 -51.55 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.17 86.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.413 ' HB2' HG13 ' A' ' 125' ' ' VAL . . . -65.54 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.627 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.92 -32.57 72.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -52.82 -41.55 64.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -68.78 -22.58 64.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.86 31.97 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.443 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -133.37 -176.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.087 0.47 . . . . 0.0 111.409 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -125.41 133.09 52.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.793 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.445 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -98.18 142.72 29.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.165 0.507 . . . . 0.0 111.836 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.6 150.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.892 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.67 138.7 31.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.443 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 164' ' ' ASN . 47.0 p -148.22 159.03 44.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -132.3 110.62 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.468 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.32 -9.68 2.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.479 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.6 p -90.19 -3.31 57.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.459 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? 33.6 40.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.57 0.543 . . . . 0.0 111.972 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -56.12 4.72 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.48 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.06 16.58 20.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.669 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.493 HG23 ' HB2' ' A' ' 33' ' ' GLN . 9.1 p -66.99 -42.08 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.703 0.287 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.89 -18.95 60.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -67.34 -31.74 72.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.338 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.7 m -73.11 -29.6 29.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 111.377 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -75.31 -45.21 41.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -72.01 -32.24 66.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.76 -53.86 23.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.043 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 176' ' ' ILE . 67.1 tp -64.07 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.5 ttm -54.35 -44.88 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -67.22 -38.67 85.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.14 -28.58 69.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.457 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 92.3 mt -72.2 -51.53 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.406 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.4 ptm180 -73.68 -25.59 60.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.94 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 56.6 m -88.6 -60.02 2.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -71.61 -54.83 9.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -60.34 -53.72 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -60.56 -20.31 60.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 0.0 111.654 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.0 t -66.25 -60.48 2.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 111.035 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 60.25 13.74 4.13 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.173 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.413 ' N ' ' HZ1' ' A' ' 120' ' ' LYS . 6.8 t30 -146.46 156.24 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.967 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.413 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.62 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 9.0 mp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.67 168.82 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -134.17 107.45 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.995 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -107.62 152.4 24.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.8 mttt -129.55 139.91 51.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -121.27 131.74 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.493 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.6 mm -111.06 114.44 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.532 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.33 93.62 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.994 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 91' ' ' LEU . 10.8 p -103.9 163.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 173.32 -160.77 31.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.779 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.466 ' N ' HG22 ' A' ' 104' ' ' THR . 27.5 t -62.37 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.945 0.402 . . . . 0.0 111.047 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.83 -16.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.393 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.24 52.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.603 HG21 ' HA ' ' A' ' 93' ' ' PHE . 55.0 t -106.29 -37.78 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.64 53.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.722 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -73.7 -24.3 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.614 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.8 p -77.54 -29.43 52.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.36 -52.91 42.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.634 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD11 HG11 ' A' ' 92' ' ' VAL . 2.0 mt -55.68 -25.74 41.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' SER . 41.2 m -68.47 -57.57 5.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.416 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.3 -29.43 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.4 mm100 -71.04 -43.68 67.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.393 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.73 -29.06 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 31' ' ' THR . 79.9 mmm -81.75 -47.61 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -97.52 -7.68 30.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 30.88 15.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.039 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -161.33 159.28 28.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.568 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.447 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 43.7 t80 -90.26 107.1 18.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.091 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -142.95 146.07 22.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -95.34 132.99 39.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.68 -42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.1 t80 59.69 98.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -145.85 108.55 4.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.37 139.96 67.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.247 1.964 . . . . 0.0 112.035 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -107.51 143.44 35.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -136.46 -30.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.433 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -172.53 -8.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.608 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -73.49 134.19 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.015 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -133.99 159.17 41.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -99.11 163.26 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -151.07 144.69 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.717 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -163.85 173.4 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.84 127.22 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.8 147.26 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -90.65 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.463 HD22 HH11 ' A' ' 177' ' ' ARG . 57.2 tp -143.15 112.14 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 59.11 31.05 20.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.01 80.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.81 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.74 114.08 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.72 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -78.71 135.21 37.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.33 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.89 146.83 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.914 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.02 121.56 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 HD12 ' HE1' ' A' ' 173' ' ' MET . 15.5 tt -107.43 140.02 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.326 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.7 t70 -118.55 120.5 37.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.219 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG13 ' SD ' ' A' ' 35' ' ' MET . 19.8 mm -95.18 137.7 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.32 99.76 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.355 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 7.2 p-10 -92.83 140.79 29.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -108.78 -177.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.27 168.64 15.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.08 95.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.549 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.43 -65.42 1.01 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.608 0.242 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.21 -81.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.466 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -53.73 -37.81 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.93 74.44 10.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.806 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.61 -18.22 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.666 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.09 -26.48 17.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.553 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.8 mt -85.5 -28.75 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.423 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.92 -36.44 72.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.411 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.01 -36.9 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.06 -43.1 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.674 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -62.61 -44.61 95.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -63.76 -25.28 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -84.38 -16.55 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -86.75 6.52 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.378 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.97 173.95 24.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.8 -31.01 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.506 ' HA2' ' HB2' ' A' ' 122' ' ' PRO . . . -104.52 156.15 17.21 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.562 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -136.12 134.64 38.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' A' ' 124' ' ' LEU . 23.8 mt -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.037 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.25 123.05 28.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.947 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.413 HG21 HG12 ' A' ' 126' ' ' VAL . 15.5 t -127.42 138.73 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.603 ' HA ' HG21 ' A' ' 25' ' ' VAL . 16.6 p90 -151.06 140.44 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.562 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 t -81.46 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.013 0.435 . . . . 0.0 111.463 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.442 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.1 pt -73.43 -33.51 40.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.568 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 HD23 ' A' ' 132' ' ' LEU . 67.8 p -62.99 -22.28 66.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.16 0.505 . . . . 0.0 109.886 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -124.41 87.66 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -59.46 -16.37 23.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.8 -27.02 68.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.086 0.47 . . . . 0.0 110.27 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 104' ' ' THR . 23.4 m -73.34 -39.23 65.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.787 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -50.91 -49.56 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.875 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -72.29 -48.8 39.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.799 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.7 67.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.661 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 91' ' ' LEU . 35.7 p -62.56 -31.42 72.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.814 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.42 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.232 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.78 -41.33 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.539 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.68 -24.7 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -49.81 -49.13 49.94 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.47 -34.0 71.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.77 -38.27 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.94 -43.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.506 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -26.23 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.938 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -51.18 -50.22 59.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.559 HG22 ' HG2' ' A' ' 115' ' ' LYS . 11.0 m -74.15 -42.16 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.691 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.559 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.8 mmtt -93.95 38.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.839 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.63 -10.96 56.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.398 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -101.61 -10.94 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -98.97 156.04 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -97.37 -66.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -79.38 115.91 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.5 mm -109.82 109.57 59.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.506 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 49.1 Cg_exo -55.65 106.29 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.31 2.007 . . . . 0.0 112.012 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.2 tp -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.966 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.46 ' HB3' HD22 ' A' ' 90' ' ' LEU . 45.9 tp -160.66 113.4 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.655 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.538 HG13 ' HB2' ' A' ' 154' ' ' TYR . 3.8 p -83.4 144.5 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.617 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG21 ' A' ' 92' ' ' VAL . 4.3 p -148.27 161.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.34 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.58 128.97 6.93 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.869 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -97.11 -176.73 3.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.373 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.472 ' HB3' HD13 ' A' ' 132' ' ' LEU . 26.5 mmmt 57.0 25.72 11.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.4 t -63.37 -19.52 64.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.227 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.14 -9.32 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.526 HD22 ' HD3' ' A' ' 135' ' ' ARG . 3.5 mp -109.91 85.02 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.11 -43.04 62.26 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.552 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.83 -6.74 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.861 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.526 ' HD3' HD22 ' A' ' 132' ' ' LEU . 18.4 mtp180 -118.85 3.65 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.442 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.2 ttm180 -69.68 107.91 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.477 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.04 -32.79 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 95' ' ' ILE . 1.8 p -95.43 104.15 14.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.11 126.52 18.89 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.177 1.918 . . . . 0.0 111.695 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.8 p -50.38 -41.27 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.316 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.09 -48.58 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.507 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -69.9 -43.31 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.51 69.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 45.6 mtt180 -72.21 -43.46 64.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.6 t -58.42 -38.82 78.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.512 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -75.98 -47.9 23.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -53.89 -41.59 67.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.879 0.371 . . . . 0.0 111.559 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.69 -30.83 67.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.052 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.31 -44.55 54.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.512 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 33.0 m0 -67.55 -26.26 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.0 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.0 15.67 17.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.733 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.66 -175.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -124.78 128.65 49.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.467 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.538 ' HB2' HG13 ' A' ' 125' ' ' VAL . 44.8 t80 -94.71 139.87 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 111.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.03 154.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.456 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.13 146.83 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.714 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.5 p -151.37 152.74 33.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.468 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.7 m -121.35 110.31 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.56 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.4 -2.77 14.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.521 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.08 -55.55 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.406 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 5.8 t -85.7 -1.31 57.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HG3' ' C ' ' A' ' 161' ' ' THR . 6.8 ppt_? 36.08 38.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.206 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.63 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.757 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -108.47 16.1 23.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.77 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.424 ' O ' HG21 ' A' ' 168' ' ' VAL . 11.8 p -68.79 -36.89 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.92 -15.04 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -60.72 -39.8 89.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 165' ' ' VAL . 31.3 m -72.05 -26.78 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -74.4 -46.34 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -72.49 -43.68 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.537 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.03 -49.7 75.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.12 -32.47 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.418 ' HE1' HD12 ' A' ' 64' ' ' ILE . 50.6 ttm -57.56 -39.62 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -69.43 -38.5 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.21 -47.56 80.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.321 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 83.0 mt -57.4 -34.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.375 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.463 HH11 HD22 ' A' ' 57' ' ' LEU . 80.0 mtp180 -75.93 -51.23 12.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.075 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 37.5 m -87.4 -59.15 2.33 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -61.93 -54.14 46.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.8 tttm -62.93 -54.74 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -62.52 -12.71 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.573 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.2 t -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 59.29 15.35 4.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -165.38 108.8 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.948 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.572 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.54 177.05 6.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.71 103.53 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -106.44 121.56 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.788 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.507 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.5 mttt -100.64 127.1 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.13 136.89 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -112.81 125.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.285 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.507 ' HE2' ' HB2' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -67.51 91.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.378 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.52 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.87 -158.29 28.97 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.418 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.558 ' N ' HG21 ' A' ' 104' ' ' THR . 73.2 p -66.48 -48.35 70.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.127 0.489 . . . . 0.0 110.347 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.17 32.74 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.151 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.72 -96.81 0.16 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.789 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 93' ' ' PHE . 5.3 m 47.61 14.85 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.139 0.576 . . . . 0.0 112.451 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.16 35.77 37.22 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.975 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.0 ptpt -59.87 -28.93 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB ' ' A' ' 31' ' ' THR . 54.4 p -72.4 -28.76 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.519 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.77 -50.3 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.616 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 1.9 mm? -61.19 -25.3 66.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.51 HG21 HG23 ' A' ' 66' ' ' ILE . 28.3 m -71.47 -42.82 67.66 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.432 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.726 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' HB2' HG23 ' A' ' 165' ' ' VAL . 16.2 mm100 -55.54 -41.33 73.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.36 . . . . 0.0 111.39 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.26 -25.38 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.475 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.4 ttm -82.18 -49.76 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.33 -2.8 11.06 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.9 m-20 56.22 41.61 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.47 140.88 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.624 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -81.2 118.53 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -126.42 145.94 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.33 -34.74 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.144 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -59.07 120.21 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -121.08 146.03 47.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -134.26 100.47 12.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.52 156.55 11.06 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.529 2.153 . . . . 0.0 112.514 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -125.04 149.05 48.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.289 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.503 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -85.64 -51.19 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.738 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.01 -1.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.11 136.59 41.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.8 p -110.87 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 43.3 m-85 -109.6 150.46 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.491 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -139.42 144.88 38.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.427 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -161.85 155.54 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.539 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.51 131.57 40.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.025 0.44 . . . . 0.0 111.418 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -146.37 137.37 18.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.557 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.2 p -89.72 144.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.077 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 tp -138.69 106.4 5.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 56.63 31.71 19.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.03 -37.4 3.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.592 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -87.53 114.31 24.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.3 tt0 -82.67 116.26 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.72 143.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -81.52 128.41 33.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 tt -105.5 135.86 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.507 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 17.2 t70 -125.96 115.79 20.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.51 HG23 HG21 ' A' ' 31' ' ' THR . 74.0 mt -103.6 131.09 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.2 tp -137.77 131.29 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -171.31 154.33 3.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.458 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 m -151.19 73.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.77 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.548 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.81 112.69 5.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.794 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 53.3 mt -72.56 6.96 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.608 0.242 . . . . 0.0 111.532 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.41 -14.69 61.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.767 0.317 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.16 -61.6 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 48.7 m-85 -60.68 151.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.34 -54.07 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.94 -10.34 2.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 20.2 mt -64.98 -18.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 37.5 ptt180 -62.9 -34.61 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -52.38 -35.16 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -70.83 -46.92 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.11 -29.55 70.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -77.06 -28.58 54.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.9 p -87.86 12.03 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' HA3' HG12 ' A' ' 18' ' ' ILE . . . -128.94 134.0 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.59 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.04 -51.98 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.463 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -101.6 170.06 20.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.412 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -136.34 137.99 41.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.692 0.282 . . . . 0.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 124' ' ' LEU . 33.6 mt -123.21 104.4 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.62 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -82.74 128.86 34.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.651 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -135.01 139.69 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.387 . . . . 0.0 112.041 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.698 ' HB3' HG22 ' A' ' 104' ' ' THR . 25.6 p90 -146.78 162.97 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 49.6 m -99.24 132.44 44.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.445 HD13 ' O ' ' A' ' 129' ' ' LYS . 21.2 pt -64.02 -31.94 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.3 t -81.81 -3.14 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.538 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 15.6 mm-40 -123.27 90.35 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.16 -15.98 58.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.37 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.36 -26.84 62.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -77.57 -45.36 25.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.487 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -49.7 -40.16 39.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.722 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.5 p -72.61 -54.96 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -58.47 -43.12 88.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.698 HG22 ' HB3' ' A' ' 93' ' ' PHE . 21.3 p -54.13 -40.61 67.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 110.181 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.87 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.887 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 11.1 tp10 -70.65 -29.15 65.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.966 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.03 -27.58 54.58 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -52.0 -43.17 63.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.473 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.55 -29.96 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.77 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -70.1 -32.63 70.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.98 -43.99 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.297 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.53 -26.61 66.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.5 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -62.23 -50.5 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.347 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.51 HG21 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.98 -11.23 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.061 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HG2' HG21 ' A' ' 114' ' ' VAL . 74.7 mmtt -127.05 58.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.97 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.05 22.63 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.425 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.681 -179.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -137.55 -45.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.003 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.506 ' HE3' ' HZ2' ' A' ' 179' ' ' LYS . 42.9 tptt -157.89 78.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.001 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.21 117.75 20.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.982 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.463 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.1 Cg_endo -86.5 100.8 0.58 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.511 2.14 . . . . 0.0 111.73 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.1 tp -111.39 166.48 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.067 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.48 ' HB3' HD21 ' A' ' 90' ' ' LEU . 54.3 tp -166.43 122.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.405 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.471 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -101.13 142.82 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 111.546 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.54 HG11 HG13 ' A' ' 168' ' ' VAL . 16.4 t -143.56 150.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.664 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.68 128.15 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -100.21 -167.0 1.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.529 0.204 . . . . 0.0 110.475 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.445 ' O ' HD13 ' A' ' 95' ' ' ILE . 11.2 mmmm 62.38 18.23 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.5 m -57.7 -26.49 61.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.44 -19.19 13.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.51 HD12 ' HD2' ' A' ' 135' ' ' ARG . 26.1 mt -101.38 79.76 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.507 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.84 -14.44 61.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.32 -18.01 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.51 ' HD2' HD12 ' A' ' 132' ' ' LEU . 99.5 mtt180 -103.21 4.78 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.428 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.78 107.8 9.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.365 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -94.62 -29.29 14.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.7 t -92.84 110.27 44.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 125.09 17.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.973 1.782 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.98 -45.34 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.335 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -60.08 -42.46 94.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.933 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -31.0 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.65 -31.44 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.5 mtt180 -71.83 -39.61 69.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -63.16 -50.04 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.537 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.0 OUTLIER -62.37 -48.15 81.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 111.181 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.99 -31.98 52.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.6 -48.55 63.19 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.729 0.3 . . . . 0.0 110.75 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.537 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 19.6 m0 -66.69 -23.42 66.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.051 0.453 . . . . 0.0 110.323 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.32 27.32 5.88 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.779 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.88 -175.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 111.778 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -131.1 129.55 42.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.471 ' HD1' HG22 ' A' ' 125' ' ' VAL . 43.9 t80 -94.97 141.29 28.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.28 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.06 154.84 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.686 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.3 145.82 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.304 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.57 HG23 ' HB2' ' A' ' 164' ' ' ASN . 26.6 p -152.8 174.9 13.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 111.854 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -152.87 110.61 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.73 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.481 ' HB1' HD12 ' A' ' 30' ' ' LEU . . . -65.46 -5.67 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -91.16 -37.75 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -96.62 -5.85 38.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.15 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.543 0.527 . . . . 0.0 111.659 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.27 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.57 ' HB2' HG23 ' A' ' 157' ' ' THR . 71.5 m-20 -111.79 12.09 20.94 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.3 p -59.45 -41.57 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.85 -21.44 60.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.113 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -69.09 -30.92 69.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.832 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.54 HG13 HG11 ' A' ' 126' ' ' VAL . 3.2 m -72.69 -30.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.357 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -74.68 -45.27 45.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.18 -33.08 67.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.93 -47.44 80.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.361 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.8 tp -72.59 -32.43 65.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -55.46 -41.05 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.55 -34.35 75.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 14.0 mm-40 -63.62 -48.98 75.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.46 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.3 mt -57.07 -32.18 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 181' ' ' MET . 78.4 mtp180 -74.72 -58.45 3.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 182' ' ' SER . 59.4 m -87.8 -58.93 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.506 ' HZ2' ' HE3' ' A' ' 120' ' ' LYS . 55.0 tttp -55.83 -54.06 49.2 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 88.0 tttt -64.4 -58.26 6.97 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -59.88 -14.05 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 178' ' ' THR . 43.2 t -71.45 -57.76 4.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.819 0.342 . . . . 0.0 110.605 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 60.82 94.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -103.65 106.27 16.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.817 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.415 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.22 178.42 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.946 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -140.47 105.34 4.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -106.23 131.59 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -111.81 106.69 15.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 111.457 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.68 135.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.086 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 HD13 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.31 139.47 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.47 89.92 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.0 p -97.71 153.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.528 ' HA3' ' HE2' ' A' ' 27' ' ' LYS . . . -173.29 -160.61 22.11 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.576 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 p -69.88 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.12 33.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.21 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.01 60.72 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 93' ' ' PHE . 25.0 t -116.68 -43.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.04 48.44 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.528 ' HE2' ' HA3' ' A' ' 21' ' ' GLY . 20.6 mmtp -55.53 -39.98 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.096 0.474 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.2 p -69.64 -29.74 67.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.579 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.62 -53.23 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.33 -24.18 67.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 28' ' ' SER . 77.6 m -73.93 -38.69 64.19 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.292 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.69 -49.27 41.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.659 HE21 ' HG2' ' A' ' 162' ' ' ARG . 5.9 mm100 -54.59 -40.62 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.733 0.301 . . . . 0.0 111.165 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -72.71 -25.0 61.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.639 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.7 tpp -81.16 -49.57 10.66 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -118.12 3.59 12.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.4 m-20 55.15 35.6 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' HA ' ' NH1' ' A' ' 162' ' ' ARG . 40.5 tt0 -148.12 150.9 34.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -92.46 124.03 36.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.04 146.99 32.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -82.68 -38.22 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.2 173.85 12.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 111.303 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -162.29 -176.22 4.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 19.7 mm-40 -126.91 135.91 28.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.8 Cg_exo -60.38 152.99 63.26 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.355 2.037 . . . . 0.0 111.983 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 m -110.42 124.97 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.231 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.25 -45.48 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.54 -9.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' H ' ' H ' ' A' ' 48' ' ' ALA . 14.0 m-20 -71.59 130.16 40.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -111.79 153.75 26.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 65.3 m-85 -96.21 120.66 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.725 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 49.4 ttp180 -128.08 149.59 50.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -164.73 164.71 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -100.9 126.55 47.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.08 157.17 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.226 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.2 p -105.62 143.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -141.43 111.73 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.04 31.12 19.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.0 15.18 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.926 -0.655 . . . . 0.0 112.649 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -89.97 114.15 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -83.67 120.03 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.07 175.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.08 147.89 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.9 tt -126.11 134.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.7 t70 -123.15 114.91 20.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.93 137.56 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.61 110.89 11.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.13 146.45 35.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -138.79 114.42 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.34 177.43 5.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.751 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.54 106.05 0.52 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.554 ' HB2' ' HE ' ' A' ' 79' ' ' ARG . 4.6 mp -84.21 20.62 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.643 0.258 . . . . 0.0 111.181 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.87 -17.43 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.7 -16.49 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -94.19 165.59 12.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -54.12 6.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.666 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.39 27.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.55 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.1 -17.21 17.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.554 ' HE ' ' HB2' ' A' ' 72' ' ' LEU . 99.2 mtt180 -46.27 -43.43 15.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.207 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 10.1 m-20 -53.81 -43.5 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.93 -44.9 78.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.442 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -60.3 -33.23 72.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HB2' HG12 ' A' ' 114' ' ' VAL . 48.8 m-85 -80.08 -24.62 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 98.2 mtt180 -74.96 -22.68 58.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.1 p -93.95 10.21 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.44 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -133.81 159.79 23.83 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.88 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -103.93 -54.7 2.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.61 161.35 29.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.19 138.3 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.548 HD11 HG21 ' A' ' 168' ' ' VAL . 1.8 tt -131.95 106.28 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.638 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -83.0 132.82 35.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.024 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.71 137.91 48.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.512 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.639 ' HB3' HG23 ' A' ' 104' ' ' THR . 17.1 p90 -152.03 149.52 28.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.656 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 53.4 m -74.48 141.68 44.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 96' ' ' THR . 28.0 pt -76.92 -36.26 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.211 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.481 ' N ' HG13 ' A' ' 95' ' ' ILE . 4.9 t -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 0.6 OUTLIER -101.43 94.62 6.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.706 179.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -14.99 50.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.13 -27.22 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.434 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 77.6 p -77.95 -43.43 29.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.702 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -56.65 -34.67 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.001 0.429 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -72.3 -53.76 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.998 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.55 91.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 93' ' ' PHE . 10.0 p -56.99 -31.64 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.7 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.64 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.75 -46.67 81.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.034 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.28 -24.8 63.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.545 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.5 tmt_? -51.38 -54.67 24.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.214 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.07 -29.79 66.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.511 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 78.6 mt-30 -63.67 -31.0 72.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.988 0.423 . . . . 0.0 110.36 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.03 -39.15 82.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.607 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.99 -26.92 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -57.24 -50.6 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.701 -179.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.564 HG22 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.15 -22.96 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.83 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HG2' HG22 ' A' ' 114' ' ' VAL . 74.6 mmtt -121.61 39.4 3.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.05 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.462 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.66 -37.77 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.42 135.31 34.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.88 -37.18 40.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.2 mptm? -89.48 128.72 36.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.8 mm -126.67 105.71 23.45 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.2 106.4 0.81 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.329 2.019 . . . . 0.0 112.11 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.87 160.44 30.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.52 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.4 OUTLIER -168.43 127.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.78 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' ' 154' ' ' TYR . 4.1 p -105.66 143.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.978 0.418 . . . . 0.0 111.665 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.591 HG11 HG12 ' A' ' 168' ' ' VAL . 13.7 t -143.49 138.5 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.94 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.78 134.39 11.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.909 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -103.3 -178.29 3.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 110.382 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? 58.54 24.2 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.432 ' HA ' HD11 ' A' ' 95' ' ' ILE . 36.8 t -58.44 -17.12 18.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.449 HD13 ' HD2' ' A' ' 135' ' ' ARG . 38.8 mt -94.91 82.27 3.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.29 -20.0 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -87.3 -35.88 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.449 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.7 mtt180 -87.53 5.12 40.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.8 ttm105 -65.69 108.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -87.43 -25.96 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.2 t -104.21 100.15 20.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.031 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.81 132.3 48.77 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.087 1.858 . . . . 0.0 111.394 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.543 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -50.43 -44.7 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.069 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -58.8 -49.58 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.129 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.72 -31.49 70.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.854 0.359 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.11 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 91.7 mtt180 -72.17 -33.58 67.81 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 -46.54 80.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.75 64.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.767 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.58 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.699 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.46 -31.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.53 -48.67 65.91 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.777 0.323 . . . . 0.0 110.983 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.443 ' HB2' HG22 ' A' ' 152' ' ' VAL . 9.5 m0 -69.25 -14.27 62.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 7.2 51.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.443 HG22 ' HB2' ' A' ' 150' ' ' TRP . 2.9 m -107.15 168.47 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.345 0.593 . . . . 0.0 112.419 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.32 135.09 53.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.484 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.454 ' HA ' HG12 ' A' ' 125' ' ' VAL . 20.1 t80 -100.92 143.78 30.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.535 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.62 152.78 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.47 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.4 136.61 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.589 HG23 ' HB2' ' A' ' 164' ' ' ASN . 81.9 p -147.83 153.74 39.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.997 0.427 . . . . 0.0 111.701 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.4 t -130.7 111.7 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.31 -14.94 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -83.12 -29.3 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 73.0 p -95.82 -18.42 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.659 ' HG2' HE21 ' A' ' 33' ' ' GLN . 1.0 OUTLIER 47.35 32.12 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.27 4.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.589 ' HB2' HG23 ' A' ' 157' ' ' THR . 69.3 m-20 -112.25 10.77 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.504 HG13 ' HB2' ' A' ' 33' ' ' GLN . 49.6 t -59.19 -50.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.3 -14.66 62.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.969 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 167' ' ' LYS . 6.0 tmmm? -74.29 -30.83 62.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.821 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.591 HG12 HG11 ' A' ' 126' ' ' VAL . 3.3 m -74.49 -27.34 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.629 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.8 -44.48 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -72.03 -29.34 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.316 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.4 -43.37 81.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 110.8 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 124' ' ' LEU . 64.5 tp -72.65 -32.55 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.1 ttm -55.06 -44.47 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.417 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 91.5 mtt180 -58.06 -42.17 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.96 -45.76 92.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.486 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 68.9 mt -59.17 -32.27 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.252 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.417 ' HE ' ' HA ' ' A' ' 174' ' ' ARG . 53.4 mtm180 -74.69 -54.34 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.843 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 182' ' ' SER . 96.6 m -87.24 -59.19 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -61.0 -53.69 54.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtm? -61.89 -55.62 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.4 -13.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.64 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 178' ' ' THR . 46.7 t -64.06 -61.07 2.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.62 -177.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -104.87 114.73 29.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.082 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.433 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.605 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.24 163.88 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -139.77 109.0 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.804 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.52 148.8 35.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 91.4 mttt -124.2 124.03 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.86 131.26 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.8 mm -99.83 111.75 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.424 ' HE1' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.04 102.44 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' A' ' 91' ' ' LEU . 12.4 p -115.1 159.82 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 168.17 85.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.876 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.561 ' HB2' HG21 ' A' ' 104' ' ' THR . 30.1 t 61.01 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.333 . . . . 0.0 111.414 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.27 -31.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.505 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.98 55.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.9 t -111.78 -65.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.06 41.02 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -50.61 -41.38 54.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.917 0.389 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 31' ' ' THR . 87.0 p -66.55 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.26 66.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.929 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 2.2 mm? -65.39 -25.18 67.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 28' ' ' SER . 90.1 m -67.16 -46.33 74.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.096 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.42 -42.92 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.0 mm100 -57.41 -37.06 72.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.419 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -72.24 -25.16 61.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.9 tpp -81.84 -49.57 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.06 -9.18 14.39 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.445 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.2 m-20 57.25 32.29 21.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -146.7 135.91 22.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -91.7 108.18 19.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.5 141.54 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.17 106.35 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -147.36 174.72 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -157.44 106.6 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -122.06 103.9 38.98 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.88 124.7 13.51 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.219 1.946 . . . . 0.0 112.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.2 m -89.85 123.57 33.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -114.97 -41.07 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -14.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.05 127.09 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB3' HD21 ' A' ' 67' ' ' LEU . 80.0 p -113.09 174.63 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -108.38 145.77 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -142.03 133.36 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.539 ' HZ3' HG11 ' A' ' 55' ' ' VAL . 4.8 ptmm? -154.72 144.97 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.851 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -94.44 124.54 38.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HZ3' ' A' ' 53' ' ' LYS . 18.6 m -135.87 142.26 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -85.99 140.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 174' ' ' ARG . 55.6 tp -147.99 118.69 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 58.28 31.55 20.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.744 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 34.94 34.24 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.715 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.61 114.99 4.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.761 0.315 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.1 tt0 -77.63 117.43 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.8 145.1 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -88.76 125.91 35.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -108.92 135.21 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.8 t70 -117.33 113.61 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.1 mt -102.67 139.69 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 50' ' ' SER . 0.9 OUTLIER -136.68 108.12 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.0 136.26 33.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.1 p -106.38 160.5 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.71 -163.59 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.82 89.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.064 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.66 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mt -83.46 15.14 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -95.93 12.0 31.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.37 5.59 15.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -114.09 169.22 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.06 7.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.633 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.29 15.77 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.597 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.23 -16.89 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.66 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 47.6 mtm180 -50.9 -37.62 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.368 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.15 -36.19 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.185 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -57.58 -42.97 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.358 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -66.75 -43.17 84.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.617 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.446 ' HB3' HG23 ' A' ' 114' ' ' VAL . 59.2 m-85 -61.31 -22.08 64.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -84.12 -19.05 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.9 t -81.42 3.31 24.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.449 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -153.72 157.26 27.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -97.6 -38.93 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.33 162.05 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -138.3 125.16 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.732 0.301 . . . . 0.0 110.735 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD12 HG22 ' A' ' 168' ' ' VAL . 1.3 tt -111.87 102.85 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.716 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' A' ' 104' ' ' THR . 15.3 tp -83.77 133.27 34.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.015 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 126' ' ' VAL . 66.3 t -142.31 121.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' HG23 ' A' ' 104' ' ' THR . 23.3 p90 -119.12 150.53 39.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.822 0.344 . . . . 0.0 110.44 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.1 t -89.99 141.41 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.418 HD11 ' HE ' ' A' ' 136' ' ' ARG . 21.7 pt -77.64 -27.41 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 p -73.9 -20.69 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 45.9 mt-10 -123.3 104.57 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -63.38 -16.45 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.234 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 11.8 pt-20 -69.99 -26.69 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.039 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -71.68 -53.5 13.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.161 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.64 -39.76 37.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.608 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.5 p -73.18 -53.97 9.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.38 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.51 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.612 ' HB ' HD21 ' A' ' 91' ' ' LEU . 13.7 p -61.17 -31.86 71.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.0 -42.6 57.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.79 -38.8 89.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.516 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.57 -23.92 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.966 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -48.27 -50.85 28.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.88 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.28 -34.05 76.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.34 -38.19 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.85 -25.4 65.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.955 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -49.81 -51.17 41.67 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.608 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.499 HG21 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -66.46 -52.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.499 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.1 mmtt -86.37 51.64 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -41.98 40.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -53.71 -45.65 70.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.947 0.403 . . . . 0.0 110.148 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 57.1 104.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.848 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -132.59 -52.56 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.708 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -146.67 78.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.027 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 13.8 mm -79.16 112.43 27.98 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.75 127.51 9.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.701 2.267 . . . . 0.0 111.454 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 tp -148.48 150.58 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 111.608 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.2 tp -159.31 123.9 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.863 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.571 HG12 ' HB1' ' A' ' 147' ' ' ALA . 3.1 p -97.97 143.34 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.986 0.422 . . . . 0.0 111.895 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 92' ' ' VAL . 12.0 t -141.2 155.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.814 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.31 134.28 11.47 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.252 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.13 -174.86 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' O ' HD13 ' A' ' 95' ' ' ILE . 32.3 mmtp 55.83 22.81 5.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 t -58.84 -17.55 24.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.309 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -76.31 11.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -132.38 76.31 1.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.51 -20.27 61.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -83.31 -24.71 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.5 mtt180 -103.71 0.25 30.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 136' ' ' ARG . 42.0 ttm180 -62.44 107.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.51 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -89.02 -27.51 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -102.73 103.58 33.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.09 130.08 37.66 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.135 1.89 . . . . 0.0 111.357 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -52.3 -45.75 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.356 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -60.44 -49.33 77.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.017 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.97 -27.74 69.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.65 56.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.768 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.3 mtt180 -68.8 -40.4 79.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 t -64.13 -51.21 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.308 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -39.8 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.804 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.571 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -65.94 -37.82 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.248 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.67 -43.25 72.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 13.1 m0 -70.44 -0.34 8.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.198 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.85 30.03 53.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 160.62 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 111.349 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -102.17 129.64 48.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.92 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.49 ' HD1' HG23 ' A' ' 125' ' ' VAL . 26.0 t80 -95.14 145.48 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.043 0.449 . . . . 0.0 111.411 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.58 151.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.82 146.55 24.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.5 p -152.64 149.15 28.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.943 0.402 . . . . 0.0 111.545 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.4 p -115.93 110.52 19.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.557 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.609 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -87.61 -47.31 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.4 p -96.66 -2.31 44.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 33.84 45.21 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.618 0.574 . . . . 0.0 111.763 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.31 -55.65 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.297 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -112.06 14.54 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.5 p -66.82 -32.8 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.46 -26.11 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -61.64 -34.7 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.877 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.591 HG22 HD12 ' A' ' 90' ' ' LEU . 3.5 m -73.4 -31.97 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.685 0.278 . . . . 0.0 111.545 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -74.45 -43.25 57.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.731 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -71.72 -33.46 68.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.063 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.45 -53.04 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.23 -32.39 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 49.8 ttm -54.89 -47.33 74.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.416 ' HG2' HD23 ' A' ' 57' ' ' LEU . 79.8 mtp180 -62.97 -34.46 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.32 -46.06 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 69.9 mt -59.11 -32.11 47.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.82 -51.67 13.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.677 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 92.9 m -87.25 -58.97 2.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -62.1 -53.8 50.3 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtt? -61.13 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.642 0.258 . . . . 0.0 111.454 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.2 mmt -72.43 -12.66 61.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.412 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t -57.59 -61.49 2.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 50.92 27.01 2.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.17 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.912 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' H2 ' HD11 ' A' ' 12' ' ' LEU . 9.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.23 130.67 47.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -111.79 111.47 22.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -104.9 141.93 35.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.51 105.61 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.71 131.97 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mm -94.18 135.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.486 ' HE2' ' HB2' ' A' ' 30' ' ' LEU . 5.1 tpt -87.82 89.28 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 21' ' ' GLY . 14.7 p -107.19 160.6 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 160.05 82.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.78 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' HB2' HG22 ' A' ' 104' ' ' THR . 30.1 t 63.11 -83.26 0.02 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.974 0.416 . . . . 0.0 111.022 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.71 -85.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.119 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 67.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.107 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 93' ' ' PHE . 97.9 t -109.72 -57.62 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 154.38 31.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.173 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 81.2 mttt -46.97 -43.12 18.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.432 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' A' ' 31' ' ' THR . 95.0 p -69.78 -30.27 67.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.477 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -52.74 63.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.312 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 1.9 mm? -64.08 -24.79 67.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 28' ' ' SER . 94.8 m -69.86 -46.72 64.93 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.683 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.05 -40.78 74.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.398 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.14 -39.84 79.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -72.36 -24.93 61.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.498 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -79.17 -49.36 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -109.8 -3.04 16.95 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 55.52 32.01 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.787 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.98 148.06 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -94.56 110.63 22.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -134.13 143.74 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.82 104.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -143.83 172.19 13.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -162.04 102.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -121.55 99.39 45.23 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.4 156.58 45.56 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.409 2.073 . . . . 0.0 112.064 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 m -70.59 96.08 1.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 9.9 mmpt? -98.06 36.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 65.93 7.03 4.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.78 125.86 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m -100.6 160.46 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -98.95 147.2 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.559 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -143.73 138.64 28.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.936 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -152.33 137.17 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.604 ' HZ3' ' HB2' ' A' ' 54' ' ' LYS . 10.6 mtmp? -89.08 119.7 29.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.381 . . . . 0.0 111.125 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.2 144.11 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.4 p -79.67 144.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD23 ' HG2' ' A' ' 174' ' ' ARG . 52.0 tp -140.79 109.27 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.757 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 56.22 31.13 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.24 -30.49 9.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.7 119.05 36.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -85.38 131.13 34.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.224 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.49 148.93 26.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -85.43 135.35 33.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -110.28 140.76 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 14.5 t70 -122.04 114.16 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -108.55 129.8 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.01 105.37 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.301 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -72.27 146.47 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.211 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.9 p -123.76 112.09 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.73 175.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.28 114.67 3.94 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.505 HD22 ' HG2' ' A' ' 79' ' ' ARG . 7.1 mp -76.31 -73.93 0.25 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 110.855 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.96 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.784 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.03 83.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.744 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 72' ' ' LEU . 27.7 m-85 -155.08 175.43 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.525 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.46 -55.14 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.443 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 176.91 22.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.487 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 43.0 mt -54.53 -18.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' HG2' HD22 ' A' ' 72' ' ' LEU . 94.3 mtt180 -57.63 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.303 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 95.9 m-20 -52.29 -34.49 46.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.541 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.25 -42.47 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.559 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -66.28 -14.24 61.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.628 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.37 -29.03 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 111.191 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.1 p -85.36 10.33 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -132.6 146.23 18.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.626 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -93.15 -48.41 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.611 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.4 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.296 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -132.26 131.84 42.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.827 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.14 107.33 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.616 HD23 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.72 129.11 34.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG12 HG11 ' A' ' 126' ' ' VAL . 21.9 t -135.88 119.29 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.737 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.678 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -132.54 155.8 47.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.946 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -97.52 151.4 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.473 HD11 ' HE ' ' A' ' 136' ' ' ARG . 21.8 pt -78.38 -37.5 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.0 p -60.49 -28.2 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.547 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.68 99.48 8.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -63.02 -17.05 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.93 -26.65 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.0 p -69.79 -51.6 32.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.75 -36.4 67.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.276 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.1 p -72.9 -54.03 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.863 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.414 ' HB1' ' OG ' ' A' ' 22' ' ' SER . . . -60.82 -35.28 76.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.678 HG21 ' HB3' ' A' ' 93' ' ' PHE . 3.6 p -59.58 -39.53 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.13 -27.7 63.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.826 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -72.78 -32.75 65.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.055 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.69 -25.1 53.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -51.57 -47.56 63.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.036 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.05 -28.22 67.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.1 -43.23 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.304 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.27 -26.28 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -51.51 -50.63 59.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 111.58 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.552 HG23 ' HG2' ' A' ' 115' ' ' LYS . 12.2 m -73.37 -13.74 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.401 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.6 mmtt -120.17 40.87 3.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.98 3.34 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.506 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.05 -27.71 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.22 -178.83 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -128.48 -58.6 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -68.63 107.09 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.36 103.65 46.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.36 128.38 25.98 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.116 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.2 tp -149.16 156.53 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.0 tp -162.09 133.24 5.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.269 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.497 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.6 p -108.23 143.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 111.837 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.484 HG11 HG12 ' A' ' 92' ' ' VAL . 7.2 p -147.3 147.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.84 128.51 9.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.106 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -99.09 -178.46 3.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.797 0.332 . . . . 0.0 110.315 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm 54.63 20.1 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -62.66 -11.68 18.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.19 -5.91 11.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.445 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.5 mt -117.66 78.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.72 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.3 -24.01 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -83.43 -6.49 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.1 mtt180 -124.98 12.89 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.427 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.473 ' HE ' HD11 ' A' ' 95' ' ' ILE . 45.6 ttm180 -75.67 108.31 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.483 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -80.97 -34.69 32.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.542 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -97.95 109.99 53.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.348 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.69 135.69 70.92 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.159 1.906 . . . . 0.0 111.542 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -55.04 -46.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.625 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -30.02 71.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.92 -31.36 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.39 51.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.478 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 81.7 mtt180 -66.43 -40.63 89.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.323 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -66.46 -52.42 46.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.548 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -46.46 88.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.21 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.47 -31.98 69.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.56 -29.36 16.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.46 31.83 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.073 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.13 -177.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 111.498 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -121.38 146.82 46.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.811 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HD1' HG22 ' A' ' 125' ' ' VAL . 45.2 t80 -112.91 135.99 53.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 0.0 111.777 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.26 155.17 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.218 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -88.85 150.56 22.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.508 HG21 ' HB3' ' A' ' 164' ' ' ASN . 16.8 p -151.75 169.19 22.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.21 0.529 . . . . 0.0 111.818 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.9 t -148.3 116.42 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.406 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.68 -5.46 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.546 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -94.69 -37.86 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 68.7 p -97.31 -11.73 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 35.25 38.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.56 5.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.168 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.508 ' HB3' HG21 ' A' ' 157' ' ' THR . 25.8 t-20 -104.28 1.12 30.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.633 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.439 HG21 HD11 ' A' ' 30' ' ' LEU . 12.6 p -56.59 -44.61 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.807 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.99 -20.57 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 13.6 tmtt? -60.48 -41.45 94.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.619 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 165' ' ' VAL . 27.2 m -72.9 -28.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.696 0.284 . . . . 0.0 111.437 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.9 -46.29 62.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.455 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -71.61 -40.19 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.601 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.42 -53.73 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.71 -33.79 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.9 ttm -55.89 -45.23 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.407 ' HG2' HD23 ' A' ' 57' ' ' LEU . 75.7 mtm180 -69.09 -34.36 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.729 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.87 -29.2 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.506 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 94.8 mt -72.8 -54.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.614 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.6 ptm180 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.829 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.4 m -88.21 -59.6 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -71.31 -54.33 11.19 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.4 tptt -60.38 -56.16 24.86 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.7 mmt -57.23 -17.4 11.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.241 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.1 t -77.53 -50.02 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.967 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.45 169.5 0.11 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -85.29 -43.69 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 59.5 mttp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.863 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.642 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.733 0.302 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 160.24 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.36 112.52 15.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -107.25 117.67 34.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.45 130.66 44.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.351 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.61 108.13 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.083 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.601 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.1 tpt -64.34 94.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG21 ' N ' ' A' ' 21' ' ' GLY . 13.6 p -115.76 159.0 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 160.43 85.98 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.609 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.496 ' HB2' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.79 -84.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.51 -62.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.92 55.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -101.79 -65.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.65 33.84 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.601 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 5.6 ptpp? -50.71 -40.45 54.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.181 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.2 p -62.1 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.85 -51.72 63.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.596 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 165' ' ' VAL . 2.2 mm? -61.67 -25.49 67.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.497 HG22 HG23 ' A' ' 66' ' ' ILE . 52.7 m -69.84 -46.01 66.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.488 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.04 -33.37 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.824 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' HB2' HG23 ' A' ' 165' ' ' VAL . 13.4 mm100 -69.16 -33.54 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.572 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -73.06 -46.13 53.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.411 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 29.9 ttm -82.45 -50.05 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.62 -23.73 17.5 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 58.04 42.12 23.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 109.94 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.15 127.54 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.881 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -72.14 105.84 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.743 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 42' ' ' ASP . 48.7 t -131.01 144.24 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.191 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.84 -31.6 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.469 ' H ' HG12 ' A' ' 40' ' ' VAL . 13.5 m-20 -60.24 161.01 7.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -158.53 -178.07 7.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.43 126.39 11.65 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.72 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -57.5 141.18 95.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.461 2.108 . . . . 0.0 112.598 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -126.58 131.8 51.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -126.42 -34.08 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.37 -14.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.14 127.53 33.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.496 ' HB3' HD21 ' A' ' 67' ' ' LEU . 79.1 p -118.09 174.25 6.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -111.41 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.744 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -151.17 139.26 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -155.83 154.14 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -100.21 122.64 43.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.08 137.8 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.556 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -70.28 138.8 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 HD12 HH11 ' A' ' 177' ' ' ARG . 0.1 OUTLIER -131.92 103.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 54.01 31.28 13.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.05 -39.1 3.01 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.85 115.97 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 111.209 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.556 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.2 tt0 -75.58 119.35 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.839 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.7 146.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 148.24 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -127.55 133.32 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.04 115.6 29.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.775 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.497 HG23 HG22 ' A' ' 31' ' ' THR . 23.3 mm -95.87 124.92 48.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD21 ' HB3' ' A' ' 50' ' ' SER . 1.2 tm? -121.83 103.73 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.645 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.63 136.62 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.9 m -146.37 149.0 32.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -178.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 73' ' ' GLU . . . -49.38 112.83 1.46 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.816 179.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 6.3 mp -74.79 11.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.678 0.275 . . . . 0.0 111.316 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 71' ' ' GLY . 12.7 mm-40 -76.91 7.47 4.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.025 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.93 -3.7 25.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.429 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 63.7 m-85 -114.66 141.87 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.88 -53.31 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.06 -21.06 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 43.1 mt -57.6 -22.42 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.045 0.45 . . . . 0.0 110.612 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.446 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 ttp180 -62.36 -44.42 96.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.918 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.62 -30.96 71.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.8 -34.37 27.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -65.83 -43.54 88.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.528 ' HB3' HG23 ' A' ' 114' ' ' VAL . 40.3 m-85 -68.25 -23.83 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.418 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -87.68 13.77 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.333 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.34 148.0 18.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.668 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.34 -10.83 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.675 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -142.88 166.41 26.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -135.61 136.42 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.684 0.278 . . . . 0.0 111.025 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 tt -131.55 103.54 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.585 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.618 HD22 ' HB ' ' A' ' 104' ' ' THR . 12.8 tp -82.97 129.22 35.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 126' ' ' VAL . 19.4 t -134.14 121.72 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.598 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.564 ' HB3' HG21 ' A' ' 104' ' ' THR . 5.3 p90 -131.3 153.87 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.942 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.5 t -94.58 145.63 24.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 HD13 ' HE ' ' A' ' 136' ' ' ARG . 27.7 pt -77.23 -34.51 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.964 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.6 p -62.17 -25.8 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -117.03 102.88 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -62.99 -16.2 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HA ' ' HG1' ' A' ' 102' ' ' THR . 41.5 mt-10 -71.47 -26.55 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m -66.03 -53.76 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.145 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.36 -36.29 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.427 ' HG1' ' HA ' ' A' ' 99' ' ' GLU . 58.1 p -72.43 -53.34 12.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.775 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.618 ' HB ' HD22 ' A' ' 91' ' ' LEU . 7.1 p -60.16 -31.37 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.284 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 43.6 mt-10 -62.16 -44.55 96.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.47 -25.2 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -50.75 -53.24 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.07 -36.81 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.127 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.6 mm-40 -58.5 -29.17 66.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.78 -36.5 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.633 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -68.05 -26.58 65.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.3 mmp_? -67.84 -50.86 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.314 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.528 HG23 ' HB3' ' A' ' 83' ' ' PHE . 3.2 m -61.62 -22.35 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 110.657 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -123.2 60.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.008 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.73 -36.78 26.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.665 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -52.96 -46.53 68.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.91 0.386 . . . . 0.0 110.261 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 119' ' ' ASP . 6.8 tt0 55.78 -131.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.406 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.428 ' HB2' ' O ' ' A' ' 118' ' ' GLU . 33.9 m-20 77.94 -45.84 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.886 0.474 . . . . 0.0 110.064 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -148.44 81.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.528 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 21.3 mm -86.85 109.53 25.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 63.7 Cg_endo -72.1 103.11 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.248 1.965 . . . . 0.0 111.921 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.9 tp -133.4 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 tp -158.37 122.68 4.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.143 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.462 HG11 ' HA ' ' A' ' 154' ' ' TYR . 4.0 p -100.09 143.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.587 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.523 HG13 HG11 ' A' ' 92' ' ' VAL . 10.0 p -145.66 154.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.59 139.81 15.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.926 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.35 -175.17 2.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.95 19.96 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.421 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.6 t -57.56 -19.93 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.067 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.17 -8.36 12.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.5 HD11 ' HD2' ' A' ' 135' ' ' ARG . 39.8 mt -119.0 87.62 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.39 -40.81 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.234 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.4 -26.27 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.5 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.8 mtt180 -96.78 10.27 39.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.496 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' HE ' HD13 ' A' ' 95' ' ' ILE . 41.7 ttm180 -79.56 108.99 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 110.28 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.87 -26.86 21.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.492 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.1 102.54 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.41 134.44 61.37 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.097 1.865 . . . . 0.0 111.319 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.96 -46.66 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.554 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.8 pt-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.359 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.2 tt0 -68.98 -41.25 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.721 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.74 70.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.4 mtt180 -70.2 -40.55 74.51 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.313 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -60.98 -48.18 83.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.631 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.419 ' HZ2' ' HE1' ' A' ' 150' ' ' TRP . 0.1 OUTLIER -69.77 -47.99 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.283 -179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.017 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.41 -32.37 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -54.17 -46.88 72.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.419 ' HE1' ' HZ2' ' A' ' 146' ' ' LYS . 7.7 m0 -66.96 -19.62 65.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.58 29.52 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.44 160.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 111.74 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -104.62 131.83 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.462 ' HA ' HG11 ' A' ' 125' ' ' VAL . 34.4 t80 -97.48 141.49 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.085 0.469 . . . . 0.0 111.776 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.71 151.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.053 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.25 143.81 26.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.553 HG21 ' HB2' ' A' ' 164' ' ' ASN . 45.1 p -150.14 159.3 44.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.136 0.493 . . . . 0.0 111.791 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 61.6 m -122.78 111.48 16.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.337 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.7 -2.33 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.6 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -96.98 -48.35 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.768 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 63.6 p -83.47 -5.28 59.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.451 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.31 39.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.86 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.673 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.553 ' HB2' HG21 ' A' ' 157' ' ' THR . 2.8 m-20 -112.11 17.18 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.343 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.514 ' O ' HG21 ' A' ' 168' ' ' VAL . 7.4 p -62.91 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -74.0 -16.24 61.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 111.105 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -61.67 -31.45 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.793 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 165' ' ' VAL . 26.0 m -80.63 -26.73 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.663 0.268 . . . . 0.0 111.483 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -71.56 -44.44 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.812 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -71.84 -47.01 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.94 -45.79 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.91 -37.04 78.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 3.2 ttp -60.21 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.256 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.19 -36.95 78.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.55 -46.72 86.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 59.7 mt -58.04 -32.21 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 110.765 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.484 HH11 HD12 ' A' ' 57' ' ' LEU . 79.6 mtp180 -73.97 -54.32 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.443 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 55.3 m -88.65 -59.72 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -55.9 -54.33 45.96 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.5 tttm -64.38 -57.71 8.55 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 57.7 mtt -58.13 -18.27 24.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 m -75.61 -49.83 17.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.687 0.279 . . . . 0.0 111.253 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.71 162.78 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.03 -34.6 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.852 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.475 ' H1 ' ' HG3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.611 ' H2 ' HD11 ' A' ' 12' ' ' LEU . 6.8 mp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.681 0.277 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 97.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 111.103 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.554 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 1.3 tt -80.6 102.96 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.13 121.78 43.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 57.5 mttp -104.43 117.74 34.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.3 134.29 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.4 HD12 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.92 126.99 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.191 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.539 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 4.2 mmt -75.29 98.2 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -107.14 153.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.437 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.511 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 177.77 -159.91 26.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.047 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -59.84 -53.48 57.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.028 0.442 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.21 29.75 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.294 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.52 68.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.745 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.63 -22.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.309 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.96 53.52 0.44 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 50.5 mttm -59.95 -50.59 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' THR . 61.5 p -51.76 -29.42 18.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.285 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.63 -52.81 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.984 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD22 HG13 ' A' ' 92' ' ' VAL . 1.4 mm? -61.26 -24.56 66.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.478 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.8 m -73.04 -41.11 64.53 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.18 72.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.292 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.441 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.8 mm100 -64.35 -37.91 89.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.353 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.55 -26.59 61.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.753 0.311 . . . . 0.0 111.197 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.6 -49.51 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -121.31 -11.81 8.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 61.78 36.94 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 0.0 110.57 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.46 140.47 51.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -95.8 105.39 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.606 HG11 ' H ' ' A' ' 42' ' ' ASP . 17.6 t -127.16 143.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.08 -27.15 62.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.606 ' H ' HG11 ' A' ' 40' ' ' VAL . 24.3 t70 -62.83 148.33 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -134.1 -172.78 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -151.6 107.66 2.91 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.66 142.4 50.3 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.461 2.107 . . . . 0.0 112.467 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -114.11 141.97 46.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -135.59 -32.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.66 -13.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.79 136.31 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -126.32 168.4 14.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 21.7 m-85 -102.0 148.79 24.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.224 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.29 141.16 28.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.29 172.86 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.341 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -127.55 127.0 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.067 0.46 . . . . 0.0 111.742 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.54 153.09 32.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.581 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.7 131.14 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.348 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD11 ' HE2' ' A' ' 173' ' ' MET . 26.4 mt -120.21 95.14 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.743 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 54.15 30.83 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 39.22 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.645 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -153.0 113.83 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -82.91 129.74 35.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.78 177.9 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.554 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt-30 -119.71 119.09 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.806 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.5 tt -107.88 133.03 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.545 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -119.87 119.7 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.618 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.85 128.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 tt -132.41 109.48 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.524 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.539 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 6.4 p-10 -80.75 120.6 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.9 p -83.58 -10.29 58.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 -169.49 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.097 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.36 86.81 0.62 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.438 HD11 ' HG2' ' A' ' 79' ' ' ARG . 80.2 mt -64.62 -75.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.492 0.187 . . . . 0.0 110.796 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.76 35.88 0.13 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.772 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -132.43 -28.89 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -87.17 -179.43 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.12 -53.86 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.64 22.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.93 -17.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' HG2' HD11 ' A' ' 72' ' ' LEU . 88.1 mtm180 -53.52 -39.52 64.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -58.78 -34.84 71.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -57.13 -45.3 83.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.09 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.54 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' HB2' HG11 ' A' ' 114' ' ' VAL . 31.2 m-85 -66.49 -21.83 66.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.513 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -83.31 -3.27 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -100.61 10.54 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.4 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -140.52 176.18 21.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.594 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 20.9 mm-40 -109.46 -54.35 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.86 165.14 33.07 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.669 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -135.53 139.82 44.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.721 0.295 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.56 HD23 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -131.04 107.73 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.762 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.608 HD22 ' HB ' ' A' ' 104' ' ' THR . 16.3 tp -82.51 129.11 34.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.484 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 30' ' ' LEU . 21.5 t -129.97 134.43 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.627 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -147.59 154.64 40.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.621 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -94.09 144.47 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.768 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' H ' ' A' ' 96' ' ' THR . 3.6 pt -73.52 -42.86 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.488 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.5 t -65.9 -11.95 50.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.488 ' HG2' HG23 ' A' ' 96' ' ' THR . 10.0 mm-40 -116.96 95.94 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.12 -18.31 63.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.8 m -68.95 -54.07 17.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.856 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' HA ' ' HG1' ' A' ' 104' ' ' THR . 16.8 t80 -57.71 -34.66 69.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.614 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -72.64 -53.84 10.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.4 77.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 93' ' ' PHE . 7.4 p -58.49 -39.6 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.44 -34.28 66.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.457 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.76 -44.39 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -60.76 -26.4 67.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.268 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.7 -45.12 70.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.52 -26.79 63.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.475 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 65.9 mm-40 -74.21 -26.44 60.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.03 0.443 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.33 -38.41 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -67.63 -26.44 66.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.773 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.475 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 19.0 mmm180 -55.43 -50.53 69.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.529 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.2 m -71.73 -11.54 15.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.958 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.529 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -131.79 69.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.89 -23.05 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.174 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.39 -37.89 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.23 132.06 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.733 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.09 -43.99 14.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.755 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.512 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 27.7 mmmt -95.25 120.11 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.361 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.2 mm -114.84 104.95 53.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HG2' ' HE2' ' A' ' 180' ' ' LYS . 24.2 Cg_exo -63.7 130.51 28.17 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.439 2.093 . . . . 0.0 112.027 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.16 152.67 33.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.8 tp -158.22 120.96 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.305 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 154' ' ' TYR . 2.6 p -92.8 143.53 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.405 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.405 ' HB ' HG23 ' A' ' 168' ' ' VAL . 2.5 p -142.02 154.14 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.99 115.54 2.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.894 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -90.33 -177.32 5.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 3.2 tppp? 57.21 17.36 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.5 t -63.36 -10.47 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.113 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.8 -15.08 57.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.508 HD13 ' HD2' ' A' ' 135' ' ' ARG . 79.7 mt -104.14 84.08 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.5 -11.18 60.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.85 -28.07 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.7 mtt180 -99.0 -2.35 37.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.291 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.4 ttm180 -67.28 107.87 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 0.0 110.419 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -96.77 -17.16 20.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.0 99.88 41.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.17 142.59 55.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.346 2.031 . . . . 0.0 111.915 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -57.07 -45.88 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.3 -49.71 73.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.231 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.13 -28.34 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.94 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.5 mtt180 -77.39 -36.64 53.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.2 t -60.13 -51.06 71.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.358 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.25 74.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.0 -29.23 68.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.2 -32.46 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.96 -41.69 62.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.53 -26.72 61.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.04 30.14 3.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.86 170.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 111.435 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.34 135.11 54.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.726 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.498 ' HB2' HG12 ' A' ' 125' ' ' VAL . 36.7 t80 -97.96 146.22 25.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 111.717 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.89 154.3 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -89.4 138.41 31.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.8 p -148.01 156.87 43.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.061 0.457 . . . . 0.0 111.821 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.48 ' HB2' HG21 ' A' ' 161' ' ' THR . 68.8 m -136.75 109.04 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.497 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.58 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.755 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.48 -54.9 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.48 HG21 ' HB2' ' A' ' 158' ' ' SER . 9.6 t -87.37 -1.67 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.441 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.8 ppt_? 34.81 40.03 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.977 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.1 -55.43 5.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.112 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.27 11.29 21.71 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 168' ' ' VAL . 7.7 p -60.44 -42.51 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.63 -15.0 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -61.51 -37.37 83.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.262 -179.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.56 HG23 HD23 ' A' ' 90' ' ' LEU . 10.4 p -76.49 -27.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -72.52 -46.69 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.29 -46.78 60.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.201 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -50.49 72.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.5 tp -60.46 -46.77 88.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.515 ' HE2' HD11 ' A' ' 57' ' ' LEU . 25.1 ttp -54.46 -42.02 70.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.54 -34.13 73.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.09 -26.32 67.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 82.7 mt -72.57 -54.16 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 111.378 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 17.3 ptm180 -60.8 -29.7 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.616 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -87.23 -58.31 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.512 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 52.0 tttp -69.6 -53.33 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.513 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.1 ttmm -62.87 -55.98 21.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -62.16 -13.86 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 84.7 p -82.93 -38.46 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.5 -177.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 30.7 p30 -81.15 179.03 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 54.3 mttp . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.858 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.5 172.41 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -139.06 106.95 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -104.33 152.74 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 93.8 mttt -129.9 104.29 7.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.68 137.75 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -107.63 134.51 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.311 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.439 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -85.34 96.08 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.122 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -104.76 157.18 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.958 0.409 . . . . 0.0 111.302 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.79 -163.81 28.58 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.194 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HB3' HG23 ' A' ' 104' ' ' THR . 71.5 p -66.2 -49.32 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.67 -13.46 0.78 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.112 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.4 68.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.56 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.5 t -121.33 -57.56 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.599 0.238 . . . . 0.0 111.168 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.19 39.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.439 ' HD2' ' O ' ' A' ' 19' ' ' MET . 33.8 mtmm -53.78 -37.25 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.036 0.446 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 31' ' ' THR . 79.1 p -73.33 -29.88 62.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.779 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.2 -53.02 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.986 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 HD11 HG22 ' A' ' 165' ' ' VAL . 2.7 mm? -60.73 -25.09 66.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.0 m -74.25 -39.92 62.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.636 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.25 -31.16 67.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.043 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -71.47 -38.37 71.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.197 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -73.22 -44.34 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.849 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.6 mmm -82.3 -49.79 9.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -94.6 -19.57 20.35 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.7 m-20 57.99 42.79 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -154.59 150.04 27.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.853 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.7 110.47 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.06 151.56 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.22 -77.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.039 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -176.07 104.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -171.19 100.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -155.02 80.79 4.31 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.28 119.61 6.4 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.653 2.235 . . . . 0.0 111.824 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -81.16 100.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.142 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -90.9 30.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.624 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.89 9.76 5.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.98 136.92 38.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.4 p -104.12 162.41 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -99.24 150.34 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -142.85 137.35 29.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.937 0.399 . . . . 0.0 110.989 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -158.23 155.53 29.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -103.29 122.28 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.361 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 148.03 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.2 p -89.3 130.03 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 111.246 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD22 HH11 ' A' ' 177' ' ' ARG . 55.9 tp -130.12 109.23 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.427 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 59.78 31.31 20.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.85 29.56 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.659 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -96.25 113.88 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.984 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.439 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.0 tt0 -76.35 126.15 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.36 170.59 19.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.79 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -108.05 150.25 27.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.39 134.89 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.514 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 21.9 t70 -116.72 113.66 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.83 123.66 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -126.43 116.62 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.289 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.82 135.77 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.1 p -102.78 -28.01 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.48 -171.11 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.11 107.81 3.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mp -82.46 -56.85 3.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.675 0.274 . . . . 0.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 64.53 -80.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.206 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.97 -34.46 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.486 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 33.2 m-85 -92.4 69.72 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.4 -16.5 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.21 -30.76 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.552 ' HA ' HD21 ' A' ' 81' ' ' ASN . 55.5 mt -81.99 -27.36 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.498 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' HB3' HD22 ' A' ' 72' ' ' LEU . 12.9 ptp180 -55.83 -33.73 64.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.08 -35.44 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.631 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.552 HD21 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m-80 -56.02 -34.5 65.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -65.66 -46.86 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -65.8 -17.5 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.382 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -82.03 -18.2 44.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.101 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 t -101.16 5.03 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.67 148.44 16.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -94.23 -45.64 7.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.576 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.476 ' HA3' HD12 ' A' ' 176' ' ' ILE . . . -93.87 160.06 24.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.124 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.54 133.59 32.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.33 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 124' ' ' LEU . 19.5 tp -125.09 106.68 10.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HB ' ' A' ' 104' ' ' THR . 9.6 tp -82.16 140.94 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.31 137.28 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.623 ' HB3' HG22 ' A' ' 104' ' ' THR . 16.4 p90 -156.74 160.09 38.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.708 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 67.3 m -93.81 126.89 39.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 pt -60.99 -29.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.437 HG21 ' HG3' ' A' ' 129' ' ' LYS . 6.0 t -81.45 -20.89 39.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -101.84 96.95 7.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.25 -17.69 62.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -74.15 -27.6 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 110.547 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -76.63 -53.61 7.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.599 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.87 -41.74 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.585 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -72.92 -53.98 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.166 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -33.76 69.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.627 ' HB ' HD23 ' A' ' 91' ' ' LEU . 11.6 p -65.8 -31.47 72.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.04 69.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.85 -42.96 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.01 -25.8 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.1 tmt_? -49.77 -45.89 50.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.561 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.42 -39.64 70.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.502 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 13.5 mm-40 -59.07 -30.53 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.12 -43.24 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -67.27 -26.29 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.825 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.502 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 25.1 mmt180 -53.55 -50.88 64.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.81 0.338 . . . . 0.0 111.817 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.578 HG21 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.35 -11.34 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.67 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.578 ' HG2' HG21 ' A' ' 114' ' ' VAL . 74.9 mmtt -123.23 58.99 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.94 -12.79 59.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.433 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.37 6.45 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 22.0 mm-40 -115.22 162.34 17.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.87 -57.44 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.534 ' HZ2' ' HB3' ' A' ' 184' ' ' ASN . 46.3 mmtm -74.08 106.65 5.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.53 104.22 54.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.453 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 18.3 Cg_exo -66.38 109.2 1.53 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.455 2.104 . . . . 0.0 112.098 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 124' ' ' LEU . 54.8 tp -132.84 157.62 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.445 ' H ' HD13 ' A' ' 123' ' ' LEU . 28.6 tp -158.17 115.59 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.149 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.517 HG22 HD21 ' A' ' 91' ' ' LEU . 2.4 p -89.09 136.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 111.168 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.452 HG12 HG11 ' A' ' 168' ' ' VAL . 21.2 t -140.55 153.79 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.79 132.66 6.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.769 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -162.74 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.491 ' HB3' HD12 ' A' ' 132' ' ' LEU . 36.0 mmtp 56.58 18.44 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.364 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.4 m -59.82 -17.06 33.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.29 12.97 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.656 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.539 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.0 mt -125.48 82.2 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.32 -21.42 60.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.468 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.58 -34.74 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.336 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.539 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.1 mtt180 -84.18 -1.78 55.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.087 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttm105 -61.29 107.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.99 -35.01 24.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.2 t -108.69 104.24 53.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.778 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.18 124.67 13.31 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 121.99 1.793 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.5 p -51.37 -44.09 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.305 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.0 pt-20 -54.8 -36.75 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.6 tt0 -75.13 -39.6 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.396 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.7 -28.6 69.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.818 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.4 mtt180 -67.96 -45.63 73.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.276 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -60.84 -46.37 90.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.493 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.534 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -65.65 -48.17 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.662 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.503 ' HB2' HG12 ' A' ' 125' ' ' VAL . . . -52.6 -43.83 65.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.588 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.89 -31.8 63.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.63 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.28 -48.07 62.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.534 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 35.8 m0 -63.92 -21.52 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.51 14.73 24.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.076 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.09 -179.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 0.0 111.48 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.02 131.14 55.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.062 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.471 ' HD1' HG23 ' A' ' 125' ' ' VAL . 40.5 t80 -96.1 136.71 36.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 111.418 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 90.1 t -132.85 149.79 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.91 137.57 32.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.369 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.3 p -139.17 157.39 46.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.45 . . . . 0.0 111.382 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.421 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 49.1 m -127.0 109.5 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.9 -6.6 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -93.56 -51.05 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.421 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 34.5 p -84.73 -7.13 59.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.411 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.4 ppt_? 37.76 35.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.887 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -75.93 -55.97 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -106.71 12.25 29.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.54 HG22 HD11 ' A' ' 30' ' ' LEU . 10.0 p -65.37 -43.04 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.313 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.22 -25.42 60.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 111.263 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 171' ' ' ASP . 7.5 tmtm? -61.13 -32.29 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.068 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -74.7 -26.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -74.93 -45.67 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.778 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -71.87 -36.2 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.21 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.437 ' HB2' ' HZ3' ' A' ' 167' ' ' LYS . 13.6 t70 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.076 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.8 -32.4 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.3 ttm -55.72 -45.52 77.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.407 ' HG2' HD21 ' A' ' 57' ' ' LEU . 86.2 mtm180 -60.93 -34.73 75.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.81 -51.71 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 74.8 mt -57.59 -31.39 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.501 HH11 HD22 ' A' ' 57' ' ' LEU . 62.6 mtp180 -72.5 -59.89 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.644 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.0 m -87.19 -59.13 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -56.95 -54.28 48.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.2 tptt -62.98 -50.8 69.35 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -70.38 -12.33 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.718 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.6 t -66.64 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.667 0.27 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 54.48 90.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.534 ' HB3' ' HZ2' ' A' ' 120' ' ' LYS . 49.8 t30 -101.11 111.01 23.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.67 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.057 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.48 HO3' HO2' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.85 131.32 34.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -105.67 112.08 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -104.01 154.02 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.66 145.16 47.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.57 121.54 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.58 105.72 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -65.14 98.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.4 p -105.49 160.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 172.79 -157.92 27.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.836 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -59.6 -56.07 26.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.0 0.428 . . . . 0.0 110.973 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.19 -7.69 1.19 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.42 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.53 64.71 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.078 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 93' ' ' PHE . 38.3 t -115.8 -50.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 111.463 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.01 42.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.213 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.3 OUTLIER -53.02 -49.68 65.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.393 . . . . 0.0 111.323 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.9 p -54.57 -30.13 53.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.586 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.472 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.96 -51.85 67.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 HG12 ' A' ' 92' ' ' VAL . 2.2 mm? -60.24 -25.23 65.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 28' ' ' SER . 31.6 m -74.04 -42.21 60.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.152 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.65 -32.13 70.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.742 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.5 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.9 mm100 -69.13 -37.64 78.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 111.17 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -73.63 -49.12 27.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.429 ' HE3' ' HB3' ' A' ' 51' ' ' TYR . 71.6 mtp -82.1 -50.02 9.53 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -177.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -104.51 -5.75 21.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 5.5 p-10 40.36 64.36 0.94 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.196 0.522 . . . . 0.0 110.977 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -159.79 128.86 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.754 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 70.1 t80 -80.08 109.07 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -107.48 150.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.05 -78.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.538 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.81 -153.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.324 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.2 t80 67.37 92.22 0.08 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -144.84 68.47 14.32 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.39 153.38 77.18 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.617 2.212 . . . . 0.0 112.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.4 m -126.75 103.15 7.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -91.07 28.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.54 12.84 5.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.427 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.25 128.34 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.762 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -87.22 170.0 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' HB3' ' HE3' ' A' ' 35' ' ' MET . 24.8 m-85 -111.91 166.45 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -144.72 146.85 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.518 ' HB3' ' HZ2' ' A' ' 53' ' ' LYS . 6.1 ttpm? -166.48 138.24 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.645 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.43 114.9 27.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.04 142.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.488 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.9 p -83.26 142.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.3 109.45 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 t70 59.52 31.01 20.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.62 -18.98 56.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.753 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -104.35 116.13 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -87.05 120.84 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.8 149.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.47 131.1 35.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.67 135.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -126.06 113.62 17.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 65.4 mt -110.25 154.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.234 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -146.28 114.69 6.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.209 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.77 131.36 38.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.7 p -119.33 112.23 19.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.953 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -166.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.259 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.42 93.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.353 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 40.3 mt -76.77 8.56 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.72 0.295 . . . . 0.0 111.353 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.87 18.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.99 -32.44 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.439 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 45.1 m-85 -82.88 142.2 31.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.68 -36.41 57.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.91 -10.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.393 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 59.8 mt -66.37 -28.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 37.7 ptt180 -58.32 -35.64 72.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.22 -31.2 67.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -54.35 -44.68 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -57.67 -35.24 70.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.489 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.33 -24.13 37.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -81.66 -28.62 33.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.248 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -87.48 12.67 11.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.021 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.76 178.86 16.36 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -121.65 -50.95 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.41 154.69 19.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.35 133.37 38.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.985 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.8 mt -122.07 111.38 16.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.604 HD12 ' HB ' ' A' ' 104' ' ' THR . 7.4 tp -82.94 118.92 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG12 HD22 ' A' ' 30' ' ' LEU . 26.9 t -124.13 136.17 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.798 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.566 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -150.31 159.14 44.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.433 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.428 ' OG ' HG12 ' A' ' 25' ' ' VAL . 68.7 m -100.31 146.63 26.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.185 0.516 . . . . 0.0 111.586 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 129' ' ' LYS . 18.0 pt -76.21 -31.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.71 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.491 HG23 HD23 ' A' ' 132' ' ' LEU . 68.3 p -66.95 -28.97 68.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.79 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -111.43 97.34 6.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.67 -15.65 53.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.47 -26.71 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.41 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 79.8 p -70.57 -51.44 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.7 -36.16 61.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.656 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.2 p -72.67 -53.97 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.987 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.37 75.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.604 ' HB ' HD12 ' A' ' 91' ' ' LEU . 9.2 p -59.37 -31.76 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.81 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -67.92 -46.42 71.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' HA ' HE21 ' A' ' 110' ' ' GLN . 20.9 m-85 -62.07 -24.2 66.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -47.87 -53.57 15.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.21 -38.83 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.402 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.556 HE21 ' HA ' ' A' ' 107' ' ' PHE . 44.3 mt-30 -56.2 -36.72 68.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.171 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -43.01 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.93 -27.29 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.561 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -60.13 -50.61 73.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.83 -11.45 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HG2' HG22 ' A' ' 114' ' ' VAL . 73.8 mmtt -127.35 34.53 4.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.8 59.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.62 -39.47 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -87.91 133.7 33.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.47 -34.5 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.347 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HZ2' ' N ' ' A' ' 184' ' ' ASN . 1.6 mptm? -89.18 110.08 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mm -119.64 106.58 41.82 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.489 ' HA ' ' HZ2' ' A' ' 179' ' ' LYS . 21.2 Cg_endo -61.49 125.95 18.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.214 1.943 . . . . 0.0 112.009 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.0 tp -142.1 157.39 44.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 tp -161.77 132.69 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.112 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.478 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -108.84 143.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.987 0.423 . . . . 0.0 111.939 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.7 p -141.89 156.15 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.996 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.93 110.28 1.14 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.811 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 157' ' ' THR . 29.3 p-10 -86.0 -170.15 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 110.409 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.443 ' O ' HD12 ' A' ' 95' ' ' ILE . 25.9 mmmt 61.21 18.15 8.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -60.58 -19.94 59.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -10.61 41.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.046 0.45 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.491 HD23 HG23 ' A' ' 96' ' ' THR . 3.7 mp -108.48 91.25 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.666 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.88 -54.94 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -7.55 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.858 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HD3' HD22 ' A' ' 132' ' ' LEU . 65.0 mtp180 -118.58 22.61 11.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.689 0.281 . . . . 0.0 111.604 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.433 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 37.5 ttm180 -99.09 110.26 22.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.41 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -94.54 -23.99 17.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.435 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.47 100.48 14.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.87 140.72 81.31 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.076 1.85 . . . . 0.0 111.236 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.44 -43.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.375 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -53.83 -44.28 70.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.512 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.26 -29.2 47.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.342 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtm180 -77.53 -34.89 53.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.4 t -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.464 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -72.96 -45.31 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.839 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.86 96.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.17 -32.28 55.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.344 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.67 -41.91 64.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.761 0.315 . . . . 0.0 110.655 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.464 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 18.9 m0 -71.95 -20.64 61.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.97 38.11 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.759 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.22 -179.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 111.355 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -125.8 131.76 52.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.849 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.478 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.7 t80 -97.47 141.31 30.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.426 . . . . 0.0 111.31 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 154.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.25 141.8 28.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.289 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.578 HG23 ' HB2' ' A' ' 164' ' ' ASN . 40.4 p -150.92 164.74 35.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 0.0 111.854 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.465 ' HG ' ' H ' ' A' ' 160' ' ' LYS . 34.8 t -138.91 112.09 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.294 179.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.99 0.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.465 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.465 ' H ' ' HG ' ' A' ' 158' ' ' SER . 88.1 tttt -97.17 -45.8 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.659 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 66.7 p -91.05 -6.0 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.027 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 34.82 42.85 0.08 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.77 -55.81 5.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.079 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.578 ' HB2' HG23 ' A' ' 157' ' ' THR . 66.9 m-20 -111.93 19.4 17.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.658 0.266 . . . . 0.0 111.475 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 33' ' ' GLN . 6.6 p -65.0 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.665 0.269 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -73.43 -14.68 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.82 -39.48 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 165' ' ' VAL . 30.9 m -74.25 -27.57 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.63 -45.95 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.379 . . . . 0.0 110.705 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.01 -33.51 68.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.078 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.14 -52.08 65.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.403 HD11 ' HB2' ' A' ' 122' ' ' PRO . 64.6 tp -62.68 -33.72 75.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.4 ttm -57.28 -46.24 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.646 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -64.02 -34.22 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 16.1 mm-40 -62.12 -51.64 67.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.625 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.534 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.1 mt -58.18 -32.01 43.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 181' ' ' MET . 79.3 mtp180 -70.18 -58.07 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.644 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.2 m -87.92 -59.25 2.29 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.489 ' HZ2' ' HA ' ' A' ' 122' ' ' PRO . 81.6 tttt -58.1 -54.29 48.62 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.534 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 24.4 tptm -63.94 -47.72 79.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -68.19 -13.7 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -61.73 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.789 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 52.13 18.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.321 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.48 ' N ' ' HZ2' ' A' ' 120' ' ' LYS . 51.5 t30 -138.85 100.53 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.023 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.95 21.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.98 124.76 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -116.47 116.85 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.8 mttt -96.2 113.54 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 129.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 mm -108.94 118.41 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.526 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 89.0 mmm -70.94 87.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.63 163.34 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.26 -153.59 18.35 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.623 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.7 p -62.0 -45.5 93.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.95 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.13 -10.42 5.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.233 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.62 68.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.22 -71.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.14 57.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 27.9 mmtp -57.91 -47.99 81.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.142 0.496 . . . . 0.0 111.07 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' A' ' 31' ' ' THR . 12.3 p -53.74 -29.46 39.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.622 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.26 -52.78 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.008 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD21 HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -65.38 -24.78 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.625 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 28' ' ' SER . 37.4 m -68.8 -41.43 78.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.373 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.25 -42.43 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.758 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.3 mm100 -65.95 -26.77 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.35 -51.42 17.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.611 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 52.7 ttm -82.2 -49.8 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.57 -20.52 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.6 m-20 53.48 31.99 13.26 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.583 ' HA ' HH11 ' A' ' 162' ' ' ARG . 10.3 tp10 -152.57 133.52 14.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.825 -178.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' HE22 ' A' ' 33' ' ' GLN . 61.3 t80 -86.65 110.25 19.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.87 145.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.31 109.31 9.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -162.99 147.79 11.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.918 0.389 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -121.66 125.89 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.498 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -121.55 104.32 40.03 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.58 140.86 83.68 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 112.095 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.3 m -76.84 107.9 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.11 43.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.96 16.91 8.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.541 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -101.11 126.27 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -109.43 155.54 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 40.9 m-85 -93.93 155.9 16.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.146 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -146.24 133.81 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.675 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.51 146.02 22.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -91.77 122.18 34.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -139.06 137.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.579 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.3 p -66.51 142.71 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -137.33 99.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.22 31.28 18.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.39 -43.29 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.839 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.18 117.96 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 111.165 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -73.65 121.98 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.98 147.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.82 166.0 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tt -142.6 122.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.6 t70 -98.27 113.53 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 84.1 mt -107.65 126.73 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.276 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -137.08 104.15 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.197 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.72 113.26 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.7 m -93.71 109.54 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -175.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.45 110.49 3.29 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 6.5 mp -72.88 -43.42 62.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.579 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 63.88 -81.32 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.446 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.53 -22.45 66.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.35 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.594 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.1 m-85 -112.01 71.9 0.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . . . -77.71 -17.23 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.367 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.91 -43.58 11.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.608 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.9 mt -66.95 -27.15 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.642 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.596 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 8.6 ptm180 -59.51 -29.2 67.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.914 0.388 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.99 -36.46 79.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.65 -34.55 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.552 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -64.45 -32.39 74.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.706 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -76.13 -15.24 60.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.37 -39.83 18.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -62.18 -23.04 66.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.13 155.23 16.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.7 -51.07 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.58 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.4 156.93 23.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.672 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' HZ ' ' HZ1' ' A' ' 115' ' ' LYS . 20.8 m-85 -128.73 141.25 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 110.677 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -126.26 108.77 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.577 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.77 113.99 20.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.564 HG13 HG11 ' A' ' 126' ' ' VAL . 3.8 t -123.36 124.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.4 p90 -136.9 168.85 18.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.554 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -112.56 147.74 35.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 96' ' ' THR . 30.7 pt -77.43 -37.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 0.0 110.767 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.448 ' N ' HG13 ' A' ' 95' ' ' ILE . 23.2 p -60.95 -14.29 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.51 98.98 5.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -62.95 -16.29 58.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.55 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.27 -26.62 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.248 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.1 p -70.09 -53.62 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.778 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.7 -34.31 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.878 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.6 -54.05 10.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.42 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.299 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.612 HG21 ' HB3' ' A' ' 93' ' ' PHE . 4.1 p -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.086 0.469 . . . . 0.0 110.636 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.44 72.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.978 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.54 -43.23 77.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.54 -24.66 65.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.175 179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.43 -43.28 34.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.01 -37.37 72.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.435 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 43.3 mm-40 -64.01 -27.35 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.31 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.68 -26.33 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.435 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.6 mmm180 -50.5 -50.67 52.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -65.72 -33.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 24.4 mmtm -104.55 53.12 0.74 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.446 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.58 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.14 -40.53 96.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 63.64 158.39 0.08 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.61 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.2 t70 179.71 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.766 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.423 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 74.7 mmtt -145.35 85.71 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.862 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.98 109.14 22.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.66 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.58 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.7 Cg_endo -84.02 132.67 5.49 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.519 2.146 . . . . 0.0 111.667 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.0 tp -146.61 156.88 43.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 111.281 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -155.87 128.63 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.211 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 154' ' ' TYR . 2.4 p -100.02 143.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.037 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.564 HG11 HG13 ' A' ' 92' ' ' VAL . 7.6 p -151.05 147.61 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -121.88 107.47 1.19 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.944 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -82.5 -176.25 6.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.992 0.425 . . . . 0.0 110.606 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? 55.44 24.56 6.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.945 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.9 m -70.36 2.64 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.128 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.66 -20.84 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.4 86.54 3.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 111.015 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.13 -26.16 61.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.461 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -88.64 -15.5 34.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.461 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 97.5 mtt180 -110.59 13.29 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.444 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.9 ttm180 -77.24 112.25 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.95 -31.44 25.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.81 107.38 48.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.361 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.87 136.17 74.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.131 1.888 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.507 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -55.61 -47.08 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.396 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.38 -41.55 97.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.31 -35.48 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.57 67.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.2 mtt180 -64.16 -38.63 91.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.26 -51.74 54.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.11 88.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.71 -179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.03 -32.1 53.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -53.13 -36.47 60.84 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -74.39 -27.73 60.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.2 31.87 3.42 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.148 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.3 -175.4 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.32 135.36 51.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.76 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.572 ' HB2' HG12 ' A' ' 125' ' ' VAL . 40.2 t80 -100.9 143.9 30.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.124 0.487 . . . . 0.0 111.848 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.39 148.98 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.826 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.17 139.22 30.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.408 HG22 ' HB2' ' A' ' 164' ' ' ASN . 66.6 p -143.79 164.93 29.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.0 111.663 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.423 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 69.4 m -140.46 109.95 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.61 -9.78 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.373 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -90.7 -36.19 14.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.423 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 49.1 p -86.4 -20.25 28.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.583 HH11 ' HA ' ' A' ' 38' ' ' GLU . 6.4 mtm180 51.06 28.51 3.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.484 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.28 -56.62 4.31 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.408 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.17 15.9 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.449 ' O ' HG21 ' A' ' 168' ' ' VAL . 7.0 p -65.78 -40.4 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.451 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.13 -22.9 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -57.34 -43.95 83.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.199 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 165' ' ' VAL . 29.0 m -69.11 -27.01 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.78 -48.44 25.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -72.17 -47.96 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.09 -45.76 79.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.422 HD21 ' HG ' ' A' ' 90' ' ' LEU . 60.3 tp -65.18 -32.76 74.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.74 -39.62 92.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -69.25 -35.9 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.834 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.14 -32.66 70.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.623 HG23 ' HD3' ' A' ' 180' ' ' LYS . 93.3 mt -72.89 -55.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.652 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.457 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.91 -24.39 66.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.863 -179.06 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.5 m -89.86 -59.41 2.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 50.1 tttp -70.66 -54.68 10.97 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.623 ' HD3' HG23 ' A' ' 176' ' ' ILE . 27.5 mtpp -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.457 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 41.0 mtt -70.21 -13.17 62.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.261 . . . . 0.0 111.144 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.3 t -70.2 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.973 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.17 97.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.89 116.65 26.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.543 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 48.6 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.043 -179.763 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.409 H5'1 ' H8 ' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD13 ' H2 ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.831 0.348 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' H ' HG13 ' A' ' 62' ' ' VAL . . . -98.2 166.68 11.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.29 110.7 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.12 135.2 46.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 98.8 mttt -98.53 146.64 25.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.508 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -135.31 117.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.839 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD13 ' HA3' ' A' ' 86' ' ' GLY . 26.5 mm -100.88 105.83 18.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.5 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.8 tpt -70.5 89.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.183 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 91' ' ' LEU . 9.8 p -101.52 162.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' N ' HG21 ' A' ' 20' ' ' VAL . . . -179.04 -161.33 26.45 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HB3' HG23 ' A' ' 25' ' ' VAL . 31.0 t -59.71 -48.21 82.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.08 -28.93 0.52 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.8 38.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.615 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.522 HG23 ' HB3' ' A' ' 22' ' ' SER . 71.8 t -78.72 -73.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 0.0 111.333 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.83 24.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 21.7 pttm -47.11 -45.36 22.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 111.217 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -65.56 -30.61 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.23 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.01 -52.55 59.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.91 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 165' ' ' VAL . 2.3 mm? -61.0 -24.84 66.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.3 m -70.5 -45.65 65.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.581 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.98 -41.57 70.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.644 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HB2' HG23 ' A' ' 165' ' ' VAL . 15.3 mm100 -56.79 -36.76 70.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.81 -25.64 61.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.847 0.356 . . . . 0.0 111.174 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -82.41 -49.26 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -115.5 -13.43 11.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.2 m-20 61.18 31.64 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.99 129.42 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.31 105.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -134.47 139.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.62 99.77 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -172.74 146.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -159.25 150.95 20.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.901 0.382 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -138.99 133.39 16.36 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.79 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.53 143.45 94.55 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.438 2.092 . . . . 0.0 112.258 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -83.73 151.08 25.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.548 ' HB3' ' HZ2' ' A' ' 47' ' ' LYS . 8.8 mtpm? -142.22 68.42 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.0 16.14 3.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.366 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -117.67 134.8 54.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.3 m -119.97 176.59 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.64 153.41 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -147.14 130.31 16.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -160.12 143.69 14.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -82.55 130.26 35.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.66 150.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.51 127.43 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD21 HH11 ' A' ' 177' ' ' ARG . 63.1 tp -130.38 95.2 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 57.44 31.17 19.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.626 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.44 -32.82 7.11 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.661 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.38 120.54 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.55 120.12 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.8 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.448 HG13 ' H ' ' A' ' 13' ' ' ALA . 26.8 m -133.51 146.58 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.5 144.81 27.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.08 146.04 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -127.94 113.64 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.713 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.508 HG12 ' HB ' ' A' ' 17' ' ' VAL . 80.2 mt -121.98 140.45 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -112.42 134.29 54.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.07 92.44 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.8 p -86.19 177.31 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.05 -177.54 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA2' HH22 ' A' ' 79' ' ' ARG . . . -75.32 104.43 1.75 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.605 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' H ' ' NH2' ' A' ' 79' ' ' ARG . 90.1 mt -72.03 -46.71 56.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.694 0.283 . . . . 0.0 110.671 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 64.55 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.963 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -89.37 114.31 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.495 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.412 ' HD2' ' H ' ' A' ' 78' ' ' ILE . 26.5 p90 179.66 161.84 0.89 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.75 -54.26 6.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.86 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.784 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.487 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 32.4 mm -86.2 -20.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.71 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' NH2' ' H ' ' A' ' 72' ' ' LEU . 38.0 mmt180 -56.04 -53.76 53.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.319 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.487 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 90.2 m-20 -59.38 -34.73 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.416 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -76.9 -29.38 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.515 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -83.02 -15.8 49.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.346 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.74 -33.45 31.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.305 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.1 m -92.73 13.97 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.211 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -122.44 161.11 16.75 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.696 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.528 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 16.2 mm-40 -110.58 -55.52 2.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.828 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.9 155.52 24.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.334 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.84 131.26 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.47 106.52 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.642 HD21 ' HB ' ' A' ' 104' ' ' THR . 14.8 tp -82.62 133.36 35.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.43 130.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.592 ' HB3' HG23 ' A' ' 104' ' ' THR . 35.5 p90 -141.43 141.43 33.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.636 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 p -85.4 139.99 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.439 HD11 ' O ' ' A' ' 129' ' ' LYS . 29.8 pt -76.82 -30.47 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.917 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.9 p -67.3 -17.26 64.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -126.45 107.15 10.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -62.83 -16.1 57.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.386 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.77 -26.75 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 0.0 110.612 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.2 m -68.15 -53.78 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.4 -35.41 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.908 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.0 p -72.49 -54.39 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.209 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.42 ' HB1' ' OG ' ' A' ' 22' ' ' SER . . . -60.94 -40.63 94.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.642 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.3 p -55.68 -45.5 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 110.404 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.48 67.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.739 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.76 -29.23 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.919 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.61 -24.56 53.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.532 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -48.37 -41.08 27.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.99 -35.31 74.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -63.02 -40.53 98.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.402 HD13 HG13 ' A' ' 20' ' ' VAL . 93.4 mt -59.93 -41.7 86.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.436 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.04 -26.27 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -50.43 -51.32 47.64 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.716 0.293 . . . . 0.0 111.753 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -66.98 -36.75 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 111.314 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 76.0 mmtt -99.07 37.65 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.17 -19.7 65.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.234 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -106.64 2.47 25.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.564 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 32.1 tt0 -110.53 146.3 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.9 -66.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.277 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.31 121.79 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.096 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.9 mm -130.28 103.88 16.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HD3' ' HD3' ' A' ' 180' ' ' LYS . 45.8 Cg_endo -68.26 96.3 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.285 1.99 . . . . 0.0 112.241 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.2 tp -119.19 157.54 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.3 tp -163.91 117.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.456 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -90.24 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.423 HG23 HG22 ' A' ' 168' ' ' VAL . 9.6 t -133.8 149.78 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.36 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.15 139.19 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.663 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -108.09 171.84 7.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.6 mmtp 61.44 18.65 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.156 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -59.39 -18.34 38.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.06 -4.13 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 110.597 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.493 HD13 ' HD3' ' A' ' 135' ' ' ARG . 54.4 mt -120.42 85.66 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.646 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.411 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 36.1 mt-10 -73.06 -31.25 64.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.45 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -78.16 -20.06 52.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.314 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.493 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.3 mtp180 -104.83 17.15 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.39 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 136' ' ' ARG . 42.4 ttm105 -83.52 112.31 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -89.63 -27.44 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.1 104.97 32.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.76 128.95 32.46 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.17 1.914 . . . . 0.0 111.353 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 8.5 p -52.67 -44.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.271 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.63 -46.96 77.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.46 -31.56 72.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.718 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.44 -28.54 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.926 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.7 mtm180 -74.78 -41.85 59.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -63.55 -36.6 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.303 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.514 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -76.83 -48.91 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.465 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.67 73.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.35 -32.2 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.2 -45.34 61.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.732 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.514 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 31.0 m0 -68.07 -23.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.35 18.45 11.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.973 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.15 174.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.369 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -116.96 128.06 54.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.565 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.456 ' HD1' HG23 ' A' ' 125' ' ' VAL . 21.1 t80 -95.06 141.11 29.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 111.37 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.79 149.33 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.42 ' HG2' ' HH ' ' A' ' 154' ' ' TYR . 33.4 mt-10 -89.94 138.95 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.086 179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -145.32 152.22 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.824 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -116.66 109.53 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.38 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.23 -1.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.955 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -99.55 -42.63 6.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.686 0.279 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 82.3 p -92.2 -2.35 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.455 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.412 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 32.95 43.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.607 0.567 . . . . 0.0 112.053 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.79 -55.79 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.516 HD21 ' HZ2' ' A' ' 167' ' ' LYS . 3.9 m-20 -111.91 15.74 20.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.65 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.8 p -64.72 -48.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.69 -24.2 59.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.699 0.285 . . . . 0.0 111.336 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.516 ' HZ2' HD21 ' A' ' 164' ' ' ASN . 6.0 tmmm? -57.27 -41.52 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.829 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 165' ' ' VAL . 35.3 m -71.94 -26.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.688 0.28 . . . . 0.0 111.397 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -69.91 -44.41 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -72.11 -30.22 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -52.83 63.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.59 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 122' ' ' PRO . 44.9 tp -66.5 -31.32 71.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.89 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.1 tpp -53.16 -45.09 68.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.004 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -69.27 -34.0 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.05 -48.96 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.436 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.8 mt -58.11 -32.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.597 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.481 HH11 HD21 ' A' ' 57' ' ' LEU . 27.6 mtp180 -75.87 -51.98 11.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.5 m -87.95 -59.34 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.63 -54.39 40.28 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.8 tptm -60.55 -48.82 80.09 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.2 mmt -71.86 -12.61 61.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.644 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t -60.43 -61.0 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.451 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 51.11 22.26 1.23 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 58.05 92.85 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.755 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.945 -179.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.561 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 10.6 mp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.28 152.29 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 tp -129.91 107.02 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.714 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -104.19 132.94 49.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -111.15 112.26 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -104.48 134.6 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.3 mm -112.54 111.98 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.556 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 93.3 mmm -62.62 97.73 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.327 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 21' ' ' GLY . 9.4 p -103.67 164.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 178.03 -158.57 23.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.628 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.83 -51.12 61.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.05 -10.81 1.6 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.385 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.72 64.78 0.32 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.501 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' A' ' 93' ' ' PHE . 61.9 t -126.57 -45.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.88 41.85 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.628 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.5 mtmt -54.36 -28.36 42.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.641 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.54 ' O ' ' HB ' ' A' ' 31' ' ' THR . 82.7 p -82.54 -28.32 31.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.49 -52.66 64.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.352 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 1.8 mm? -63.29 -24.96 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.5 m -66.72 -53.44 33.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.557 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.46 -40.88 85.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.578 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -72.77 -25.57 61.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.2 tpp -81.99 -49.79 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -111.41 -7.68 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.0 m-20 57.73 30.59 19.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.931 0.396 . . . . 0.0 110.604 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -148.42 137.84 22.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.728 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -77.18 106.03 8.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.821 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -129.09 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -82.85 101.98 11.33 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.68 143.44 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -155.64 138.86 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -146.82 109.56 4.07 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.64 142.44 95.74 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.373 2.048 . . . . 0.0 112.005 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -132.18 153.26 50.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -106.56 -28.84 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.02 -4.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -72.54 133.68 44.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.4 t -128.36 174.45 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 53.7 m-85 -106.85 145.66 31.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -142.76 142.08 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.103 0.478 . . . . 0.0 111.448 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -159.35 146.92 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.448 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -86.64 127.7 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.0 111.544 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -138.33 144.8 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.677 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.8 p -79.43 144.41 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.5 tp -136.98 100.82 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 31.32 16.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.75 -38.22 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.687 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.38 113.99 26.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.619 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 tt0 -71.39 114.89 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.25 140.56 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -80.7 129.86 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -107.77 133.44 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.8 t70 -118.01 119.5 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG21 HG23 ' A' ' 31' ' ' THR . 73.3 mt -107.79 115.93 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.408 . . . . 0.0 110.932 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tp -122.27 124.15 43.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.113 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.77 149.76 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -126.56 -85.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.64 -166.44 0.32 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.097 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.58 95.72 0.16 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.24 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HB2' ' HG2' ' A' ' 79' ' ' ARG . 85.0 mt -87.94 19.4 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.742 0.306 . . . . 0.0 111.256 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.47 -8.04 52.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.54 -46.92 71.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.027 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -68.59 -172.27 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.15 -53.86 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.378 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.99 31.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.04 -17.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HG2' ' HB2' ' A' ' 72' ' ' LEU . 81.7 mtm180 -51.08 -40.02 57.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.03 -38.18 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.65 -39.6 81.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.321 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -76.35 -36.85 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.452 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -71.8 -16.58 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.91 -22.66 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -90.51 8.08 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.03 132.31 6.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.277 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.82 -51.5 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 111.061 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.49 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -95.3 164.21 24.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.676 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.2 141.65 44.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD21 ' HB3' ' A' ' 124' ' ' LEU . 15.6 mt -124.64 103.99 8.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.584 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -82.31 127.6 33.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.88 136.33 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.119 0.485 . . . . 0.0 112.045 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.562 ' HA ' HG22 ' A' ' 25' ' ' VAL . 26.3 p90 -147.25 141.35 26.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.152 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -78.71 143.11 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 111.256 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.661 HG12 ' HB3' ' A' ' 129' ' ' LYS . 25.5 pt -73.65 -32.79 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.768 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.3 p -76.03 -0.49 21.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.666 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -131.56 93.86 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.28 -16.95 61.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -73.39 -26.48 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 110.252 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -69.48 -52.02 30.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.434 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -56.52 -35.87 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 0.0 111.528 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.6 p -71.98 -53.68 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.83 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.584 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.9 p -55.72 -31.87 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.86 -46.63 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -57.84 -33.53 68.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.212 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -51.59 -43.0 62.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.18 -38.01 72.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -62.45 -28.54 69.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.78 -36.17 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.38 -25.28 66.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.238 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -50.8 -51.04 54.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.621 HG22 ' HG2' ' A' ' 115' ' ' LYS . 8.6 m -69.12 -12.99 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.61 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.621 ' HG2' HG22 ' A' ' 114' ' ' VAL . 71.7 mmtt -128.94 52.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -37.53 28.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.616 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.28 -51.23 69.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.414 . . . . 0.0 110.321 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 59.37 107.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -131.86 -47.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.597 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.418 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 34.2 mmtp -148.31 76.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.596 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.9 mm -77.29 114.46 40.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.992 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.47 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -88.09 126.27 2.0 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.783 2.322 . . . . 0.0 112.056 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 124' ' ' LEU . 67.6 tp -146.61 162.85 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.727 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.473 ' HB3' HD21 ' A' ' 90' ' ' LEU . 43.0 tp -161.43 113.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.072 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' A' ' 154' ' ' TYR . 5.3 p -84.17 143.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.205 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.526 HG13 HG11 ' A' ' 168' ' ' VAL . 13.2 t -148.91 153.15 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.432 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -130.02 127.46 5.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.003 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -96.56 -164.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.585 0.231 . . . . 0.0 110.456 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.661 ' HB3' HG12 ' A' ' 95' ' ' ILE . 9.6 tppt? 65.62 12.89 8.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.062 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.63 -14.86 9.34 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.54 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.37 -8.89 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.648 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.462 HD11 ' HD2' ' A' ' 135' ' ' ARG . 34.8 mt -121.21 74.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.62 -25.11 66.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -85.8 -6.34 59.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.462 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.3 mtt180 -118.15 8.16 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.432 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.467 HH22 ' HG2' ' A' ' 156' ' ' GLU . 12.0 ttm180 -73.29 108.16 6.01 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.485 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.18 -31.72 33.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.392 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.87 107.08 41.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.56 131.13 42.56 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.994 1.796 . . . . 0.0 111.33 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -49.2 -45.91 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.361 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.24 -49.47 71.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.17 -29.88 71.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.69 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 89.3 mtt180 -77.56 -38.12 49.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.503 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.5 -48.6 32.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.993 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.71 -28.83 68.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.553 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.17 -32.18 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -51.99 -38.69 57.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -71.92 -24.69 61.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.8 7.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.409 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -176.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.029 0.442 . . . . 0.0 111.661 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -126.94 136.32 52.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.54 ' HB2' HG12 ' A' ' 125' ' ' VAL . 75.4 t80 -94.84 134.55 37.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.973 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.63 155.08 40.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.467 ' HG2' HH22 ' A' ' 136' ' ' ARG . 37.1 mt-10 -88.61 144.86 26.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.9 p -151.94 170.95 18.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.036 0.445 . . . . 0.0 111.853 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.51 ' HB3' ' HG1' ' A' ' 161' ' ' THR . 37.9 t -150.73 115.28 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.54 0.43 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -99.85 -46.0 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.51 ' HG1' ' HB3' ' A' ' 158' ' ' SER . 54.2 p -91.28 -4.41 55.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 -179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.411 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 35.41 38.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.528 0.518 . . . . 0.0 111.752 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.94 -52.28 9.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.872 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.19 13.7 21.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.838 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.472 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.9 p -63.54 -36.07 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.73 -27.28 61.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -60.29 -31.21 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.579 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.526 HG11 HG13 ' A' ' 126' ' ' VAL . 2.5 m -74.57 -36.71 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 111.385 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.33 -37.62 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -71.73 -49.96 34.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.21 -48.94 73.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.314 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.496 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.5 tm? -60.28 -41.1 92.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.013 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.5 ttm -56.74 -46.13 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.414 ' HG2' HD11 ' A' ' 57' ' ' LEU . 89.4 mtm180 -69.62 -40.2 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.75 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.29 -35.08 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.49 HD11 ' HA3' ' A' ' 88' ' ' GLY . 97.3 mt -72.93 -54.68 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 111.73 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 181' ' ' MET . 7.3 ppt_? -60.6 -26.25 66.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.622 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.402 ' HG1' ' HD2' ' A' ' 177' ' ' ARG . 97.8 m -87.41 -59.26 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.418 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.9 tttp -70.67 -53.94 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.6 tttp -61.15 -59.17 5.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.436 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.6 mmt -57.38 -13.92 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.767 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 46.9 t -68.98 -60.73 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 61.13 111.48 0.02 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.395 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -130.93 121.26 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.968 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.864 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.443 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.31 151.02 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 tp -123.51 105.87 10.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.205 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -104.52 114.19 28.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -101.62 107.63 18.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.379 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.66 139.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.0 mm -106.34 141.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.089 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 tpt -91.55 87.69 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -97.7 162.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 173.57 -160.57 30.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.653 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 84.4 p -61.72 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.583 ' H ' ' HZ2' ' A' ' 27' ' ' LYS . . . 127.25 -5.12 7.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.14 82.72 0.08 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.95 -33.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.3 45.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.409 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.583 ' HZ2' ' H ' ' A' ' 23' ' ' GLY . 52.5 mttp -55.93 -43.73 77.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.004 0.431 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.1 p -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.282 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.069 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.46 HD11 HG23 ' A' ' 165' ' ' VAL . 1.9 mm? -63.8 -24.57 67.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.1 m -67.12 -48.95 66.54 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.173 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.57 -44.46 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.46 -35.97 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.631 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -72.36 -30.11 64.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.435 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.528 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 27.2 ttm -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -121.18 -10.34 9.0 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 162' ' ' ARG . 9.0 m-20 59.94 29.84 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.68 127.33 47.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -83.16 113.82 20.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.12 141.15 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.1 -52.03 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 128.96 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -119.34 158.61 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -107.91 124.8 33.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 144.39 73.17 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.215 1.943 . . . . 0.0 112.362 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -117.14 117.53 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -111.77 -39.08 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.89 4.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.74 132.41 38.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 m -112.3 163.51 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.528 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 56.8 m-85 -103.37 152.82 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.378 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -137.39 144.06 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.956 0.407 . . . . 0.0 111.258 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -157.8 158.14 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.38 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.589 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 10.6 mtmp? -110.21 124.12 51.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 111.337 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.529 HG21 ' HE2' ' A' ' 173' ' ' MET . 10.8 m -137.38 142.61 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.627 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.5 p -98.47 146.2 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.023 0.439 . . . . 0.0 111.911 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' SD ' ' A' ' 173' ' ' MET . 56.3 mt -123.72 94.65 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 54.9 30.88 14.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.464 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.88 -54.17 0.75 Allowed Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.519 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -80.09 118.67 22.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.801 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.627 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -92.35 131.37 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.98 154.89 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.62 142.51 29.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.249 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.6 tt -115.32 145.4 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.1 t70 -136.27 113.67 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.8 mt -106.43 137.3 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.202 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.43 106.02 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.32 131.23 34.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.2 p -107.76 123.42 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.5 -159.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.89 91.51 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.554 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mp -84.13 20.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.44 -20.81 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.55 -39.97 93.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -87.37 179.88 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.06 -54.14 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.36 71.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.006 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.9 mm -85.46 -19.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -54.73 -30.02 55.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.284 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -53.81 -32.57 53.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -72.99 -35.8 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.213 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.78 -26.91 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.75 -18.51 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.452 ' HE ' HG11 ' A' ' 114' ' ' VAL . 29.7 ttm180 -83.95 -20.66 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.951 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.5 p -94.34 13.23 24.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.84 171.73 22.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.4 -53.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.495 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.2 163.13 27.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -138.39 136.87 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -122.0 106.09 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.539 HD12 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -83.28 96.12 8.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.244 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 126' ' ' VAL . 13.7 p -109.29 134.56 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.982 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.537 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.7 p90 -143.24 -175.12 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.2 m -119.66 146.87 45.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 HD12 ' HE ' ' A' ' 136' ' ' ARG . 5.6 pt -78.72 -34.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.1 p -59.39 -20.48 55.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.369 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -123.13 104.18 9.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -63.05 -19.64 64.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.93 -25.88 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.439 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 16.4 m -66.48 -53.38 35.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.313 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -58.85 -35.45 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.07 0.462 . . . . 0.0 111.245 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 103' ' ' ALA . 74.1 p -71.61 -52.61 17.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.491 -179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.524 ' N ' ' HG1' ' A' ' 102' ' ' THR . . . -60.79 -37.83 83.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.539 ' HB ' HD12 ' A' ' 91' ' ' LEU . 5.1 p -57.3 -38.25 73.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.124 0.488 . . . . 0.0 110.635 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.33 71.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.17 -44.78 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -59.03 -25.01 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.209 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.42 ' HD2' ' NE1' ' A' ' 150' ' ' TRP . 18.3 ttt180 -50.4 -37.48 37.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.321 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.67 -46.45 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.424 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -56.43 -25.26 49.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.114 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 108' ' ' ARG . 93.5 mt -67.21 -45.05 87.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.87 -26.55 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.735 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -52.41 -50.53 62.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.583 HG21 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -70.57 -38.92 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.753 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.7 mmtt -98.89 37.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.86 -26.81 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -90.12 -25.0 20.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.8 tp10 -83.49 141.9 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.986 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.19 -60.52 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.85 123.06 23.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.721 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.8 mm -123.03 104.97 35.03 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.495 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 28.4 Cg_endo -63.02 123.45 12.25 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.324 2.016 . . . . 0.0 111.91 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.8 tp -145.81 159.54 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 111.274 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.0 tp -160.83 128.65 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.475 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' ' 154' ' ' TYR . 2.6 p -101.7 142.53 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 92' ' ' VAL . 14.3 p -151.63 151.83 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.39 115.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.5 p30 -79.4 -160.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt 61.76 13.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.57 0.224 . . . . 0.0 111.205 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.424 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.1 t -57.74 -13.99 5.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.7 -5.41 15.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 44.4 mt -123.54 85.17 2.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.9 -39.63 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.317 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.0 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.43 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.512 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.7 mtp180 -110.04 3.59 20.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.471 ' HE ' HD12 ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.37 109.65 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -89.81 -27.64 19.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.483 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.9 t -94.04 104.44 13.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.292 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.75 128.2 22.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.094 1.863 . . . . 0.0 111.468 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -48.32 -42.77 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.456 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.11 -49.59 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.5 -35.04 79.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.03 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.559 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.2 mtm180 -77.62 -31.23 52.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -65.58 -52.11 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.387 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -47.39 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -60.22 -46.65 89.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.962 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.93 -32.61 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.346 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.86 -39.78 59.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.844 0.354 . . . . 0.0 110.452 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.42 ' NE1' ' HD2' ' A' ' 108' ' ' ARG . 8.9 m0 -73.67 -24.9 60.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.24 16.5 13.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.928 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.62 174.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 111.462 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.07 141.95 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.772 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.499 ' HB2' HG13 ' A' ' 125' ' ' VAL . 47.9 t80 -102.84 140.73 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 111.415 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.19 155.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.98 147.23 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.6 p -148.48 169.0 21.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.482 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.8 m -141.16 111.68 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.597 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.94 -0.45 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -99.18 -41.56 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -94.27 -7.51 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 37' ' ' ASP . 6.7 ppt_? 35.99 36.52 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.233 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.85 -55.62 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.813 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.89 18.08 19.17 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.46 HG23 HD11 ' A' ' 30' ' ' LEU . 7.5 p -66.61 -42.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.716 0.293 . . . . 0.0 110.897 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.1 -14.75 61.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -58.73 -39.85 82.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.589 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.85 -26.84 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -72.83 -45.6 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.694 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -72.04 -32.2 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.25 -51.22 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.547 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.2 tm? -60.49 -36.9 79.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.278 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.529 ' HE2' HG21 ' A' ' 55' ' ' VAL . 44.4 ttm -57.65 -44.44 85.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.59 -37.38 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.2 -51.02 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.533 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 73.1 mt -58.11 -31.94 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.272 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -73.54 -53.07 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.681 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.4 m -87.72 -58.92 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -58.02 -53.92 52.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.533 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.9 tttm -64.88 -54.89 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 51.3 mtt -61.41 -17.94 56.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.509 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t -63.55 -57.03 11.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 61.22 174.94 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -55.61 -64.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.102 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.42 ' H1 ' ' HB3' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 137.9 31.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -120.45 107.47 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.31 139.25 39.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 61.1 mttm -124.49 115.9 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.291 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.1 133.19 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.277 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.7 mm -109.71 114.58 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 93.6 mmm -65.18 96.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -100.65 167.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.749 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' HA2' HD23 ' A' ' 91' ' ' LEU . . . 175.05 -156.53 22.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.723 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 28.7 t -61.52 -41.3 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.958 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' HA2' ' HZ1' ' A' ' 27' ' ' LYS . . . 135.77 -6.57 4.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.471 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.7 40.48 0.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 22' ' ' SER . 79.3 t -95.47 -50.31 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.635 0.255 . . . . 0.0 111.361 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.61 37.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HE2' ' N ' ' A' ' 21' ' ' GLY . 79.4 mttt -48.98 -34.91 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.449 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.498 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.5 p -80.87 -28.78 35.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.807 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.56 -53.27 60.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HB2' ' HE3' ' A' ' 19' ' ' MET . 1.5 mm? -63.33 -24.49 67.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 28' ' ' SER . 44.3 m -67.46 -56.06 11.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.892 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.54 -40.59 75.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.292 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -59.41 -42.57 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 111.223 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.81 -31.9 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mmm -81.6 -50.35 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.85 -6.97 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 58.1 77.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.014 0.435 . . . . 0.0 110.804 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -168.01 130.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -80.93 109.22 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.272 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.64 145.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.65 -25.86 7.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.36 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.08 163.27 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 t80 57.36 101.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.51 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HG2' ' H1 ' ' A' ' 503' ' ' HOH . 9.7 tp10 -153.33 73.07 6.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.0 126.43 9.32 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.598 2.198 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.5 m -136.92 105.96 5.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -121.85 -67.03 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.82 -5.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.09 127.71 33.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -111.13 165.83 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -104.19 159.14 15.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -148.79 144.43 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -168.56 136.01 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 122.27 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.65 141.07 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 9.0 p -76.1 139.45 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.09 113.27 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.44 31.54 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.07 -32.16 5.83 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.555 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.69 115.14 27.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -74.85 114.19 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.034 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -121.77 145.97 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.05 134.21 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -106.27 138.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.561 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.4 t70 -126.27 113.64 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.409 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.34 149.7 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 111.614 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD11 ' H ' ' A' ' 69' ' ' THR . 2.1 tm? -130.12 122.09 27.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.902 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -46.35 -57.71 4.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.867 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.462 ' H ' HD11 ' A' ' 67' ' ' LEU . 24.4 m 65.04 101.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.16 -169.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.3 86.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -98.39 26.7 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.91 -177.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' H ' HH21 ' A' ' 79' ' ' ARG . 7.3 m-20 60.48 -147.32 0.45 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.666 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 65.45 173.17 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.969 0.414 . . . . 0.0 111.251 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.06 9.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.81 22.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.534 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.444 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 60.8 mt -57.43 -19.48 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.452 HH21 ' H ' ' A' ' 74' ' ' ASP . 89.6 mtt180 -53.98 -45.55 71.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.83 -36.79 82.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 89.2 m-20 -56.3 -39.84 73.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.406 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -68.81 -38.76 80.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.339 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' HB2' HG12 ' A' ' 114' ' ' VAL . 24.0 m-85 -68.46 -20.61 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -79.44 -6.86 57.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -93.14 0.19 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.56 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -149.32 150.1 22.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.12 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 39.7 mt-10 -85.86 -47.39 9.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.872 0.368 . . . . 0.0 110.607 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 166.09 33.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -139.55 136.25 34.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.9 102.17 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD13 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.81 114.39 21.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.474 HG11 HD22 ' A' ' 30' ' ' LEU . 85.2 t -121.84 139.16 49.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.581 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.6 p90 -146.9 154.76 41.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.94 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.458 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 75.0 m -94.17 134.26 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 33.4 pt -65.91 -21.32 28.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -81.0 -47.63 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.008 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.67 101.79 11.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -62.7 -18.14 61.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.968 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.24 -26.91 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.734 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.489 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 24.1 m -70.4 -53.87 14.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.531 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.26 -44.14 67.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.883 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 t -72.46 -53.1 13.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.73 81.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.852 0.358 . . . . 0.0 111.43 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD13 ' A' ' 91' ' ' LEU . 9.6 p -54.96 -34.69 63.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.199 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.01 71.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.46 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -68.23 -45.21 73.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -59.21 -25.05 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -49.3 -49.86 41.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.281 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.63 -29.45 65.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.381 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.63 -27.58 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.14 -40.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.474 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.4 -26.65 66.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -50.93 -51.14 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.83 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.491 HG21 ' H ' ' A' ' 115' ' ' LYS . 13.5 m -69.5 -52.12 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.985 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.491 ' H ' HG21 ' A' ' 114' ' ' VAL . 74.6 mmtt -85.98 39.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -6.8 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.49 -18.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.084 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -93.99 145.15 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.24 -37.93 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.555 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -99.65 105.24 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.6 mm -99.78 105.28 33.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.424 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.24 122.75 10.57 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.299 1.999 . . . . 0.0 111.897 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -140.48 155.06 46.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.39 122.94 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.11 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 154' ' ' TYR . 4.6 p -97.63 143.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.501 . . . . 0.0 111.826 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 168' ' ' VAL . 22.0 t -139.99 127.21 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.307 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.99 123.55 7.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.917 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -93.3 -168.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.458 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 70.1 mmtt 58.92 18.23 6.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.4 m -65.41 -12.67 54.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.34 9.64 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 30.0 mt -128.33 82.02 2.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.74 -28.14 62.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -84.67 -40.65 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 78.6 mtp180 -78.92 0.18 28.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -64.47 111.77 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -87.75 -33.18 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.528 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -105.58 117.15 58.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.57 124.51 14.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.794 1.662 . . . . 0.0 111.421 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.484 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -51.44 -43.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.184 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -63.23 -38.28 90.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.59 70.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -72.57 -34.28 67.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.185 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -65.79 -53.25 42.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.444 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.568 ' HZ2' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -61.81 -47.49 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.479 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -60.27 -47.29 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -51.4 -31.69 23.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.528 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 151' ' ' GLY . 20.0 mm-40 -51.97 -43.21 63.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.568 ' HE1' ' HZ2' ' A' ' 146' ' ' LYS . 7.4 m0 -71.03 9.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.95 25.88 75.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.272 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 150' ' ' TRP . 20.0 m -121.72 162.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 111.638 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -104.46 126.02 51.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.533 ' HB2' HG11 ' A' ' 125' ' ' VAL . 19.0 t80 -95.36 130.42 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.985 0.422 . . . . 0.0 111.104 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.3 t -123.52 150.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.23 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.42 139.92 30.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 164' ' ' ASN . 40.3 p -146.9 166.44 26.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.104 0.478 . . . . 0.0 111.657 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.434 ' HB3' ' HG1' ' A' ' 161' ' ' THR . 36.3 t -139.51 112.58 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.997 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.49 -6.3 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.845 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -96.9 -34.95 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 111.215 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.434 ' HG1' ' HB3' ' A' ' 158' ' ' SER . 58.6 p -97.96 -9.04 26.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.455 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.5 ppt_? 34.08 41.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.641 0.588 . . . . 0.0 111.853 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.55 -55.62 5.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.364 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.45 ' HB3' HG22 ' A' ' 157' ' ' THR . 1.0 OUTLIER -111.97 12.55 20.74 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.761 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 168' ' ' VAL . 46.5 t -64.68 -46.82 91.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -73.29 -15.18 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.413 ' HD2' ' ND2' ' A' ' 164' ' ' ASN . 5.9 tmtm? -69.14 -45.34 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.354 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 126' ' ' VAL . 35.1 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.482 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -66.53 -47.5 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.509 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -68.52 -35.14 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.412 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 19.2 t70 -62.46 -31.94 72.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.419 ' HA ' ' HG2' ' A' ' 175' ' ' GLU . 57.5 tp -72.53 -47.15 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.401 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 28.8 mtm -55.39 -35.82 65.73 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.743 0.306 . . . . 0.0 111.509 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 74.8 mtm180 -69.76 -47.91 61.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.419 ' HG2' ' HA ' ' A' ' 172' ' ' LEU . 11.4 pt-20 -67.76 -25.36 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.54 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.413 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 79.1 mt -71.18 -55.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.341 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 181' ' ' MET . 61.3 mtp180 -59.44 -28.78 67.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.5 m -86.85 -59.16 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.9 -53.95 13.22 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 62.8 tttm -58.29 -52.97 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -65.88 -15.34 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.638 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.4 t -63.56 -60.74 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 111.107 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 58.92 -178.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -138.26 104.88 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.027 -179.837 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.427 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.42 ' H1 ' ' HG2' ' A' ' 44' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 158.24 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -123.99 113.98 19.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -110.49 154.14 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.781 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.38 141.26 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.21 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.552 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -132.38 115.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mm -99.46 106.23 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.613 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 78.6 mmm -59.94 91.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.204 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -98.84 159.71 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.193 -179.418 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' N ' HG21 ' A' ' 20' ' ' VAL . . . -174.66 -161.29 24.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.417 ' OG ' HG23 ' A' ' 25' ' ' VAL . 80.0 p -60.2 -40.54 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.416 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.08 36.98 0.68 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.308 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.96 39.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.578 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG22 ' HA ' ' A' ' 93' ' ' PHE . 54.6 t -99.66 -73.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.13 43.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.145 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -53.67 -46.78 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.224 -179.84 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.8 p -51.0 -29.91 13.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.11 -52.72 62.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 0.6 OUTLIER -66.07 -25.11 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.826 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.4 m -65.49 -46.43 79.77 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.33 -44.43 65.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.484 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.6 mm100 -56.99 -41.79 79.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -72.54 -25.01 61.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.785 0.326 . . . . 0.0 111.517 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.401 ' HE2' ' CE1' ' A' ' 51' ' ' TYR . 29.8 ttm -81.46 -46.01 15.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -123.86 -7.09 7.88 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 58.4 44.17 18.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.481 . . . . 0.0 110.597 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -154.11 127.53 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.023 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.44 143.19 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.55 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -80.73 18.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -116.36 175.96 5.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -158.42 -176.91 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.746 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.85 134.2 11.36 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 151.4 35.17 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.491 2.127 . . . . 0.0 112.233 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -68.58 103.11 1.61 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -97.84 27.11 4.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.86 15.38 8.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -107.77 131.28 54.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -87.49 175.15 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.244 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -123.87 154.98 38.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.572 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 80.9 mtm180 -142.38 145.4 33.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.386 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 39.2 ttpt -151.16 154.64 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -98.77 128.97 45.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.57 146.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.456 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.5 p -106.78 141.32 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.951 0.405 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.84 103.67 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 56.18 31.21 17.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.232 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.47 -46.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.064 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.85 114.05 15.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -91.34 114.15 26.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.41 163.18 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.307 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.9 139.69 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 13.6 tt -110.12 139.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.762 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.463 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.5 t70 -131.01 122.59 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.552 HG12 ' HB ' ' A' ' 17' ' ' VAL . 92.2 mt -125.71 128.54 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -101.2 112.66 25.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.528 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.61 140.27 42.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -161.85 150.31 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.29 -176.57 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.88 109.16 1.89 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.335 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.534 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 74.6 mt -64.2 -12.91 45.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.57 -24.72 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.09 -24.53 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.245 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -85.12 155.36 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.875 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.35 -51.19 12.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.294 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.45 1.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.13 -16.72 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 62.1 mtm180 -51.48 -40.96 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.84 -31.77 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.469 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.05 -36.84 82.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.897 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -77.61 -41.7 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.47 -26.5 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -73.43 -15.97 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -104.99 9.65 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.16 138.81 12.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.767 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -86.44 -54.79 4.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.58 158.7 20.37 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.29 135.96 43.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.594 0.235 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.55 105.28 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.843 179.489 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD22 ' HB ' ' A' ' 104' ' ' THR . 11.7 tp -82.23 119.28 23.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.668 0.271 . . . . 0.0 110.281 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.413 HG12 ' HB ' ' A' ' 126' ' ' VAL . 8.8 t -133.29 138.87 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.902 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.584 ' HB3' HG23 ' A' ' 104' ' ' THR . 12.8 p90 -145.27 171.02 15.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.345 178.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.0 m -107.68 137.94 44.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.249 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.477 HD11 ' HE ' ' A' ' 136' ' ' ARG . 17.6 pt -64.99 -35.79 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 179.209 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 p -66.97 -14.34 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -119.62 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.709 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -63.13 -16.44 60.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -73.47 -26.48 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -71.49 -50.35 32.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.859 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -50.76 -33.6 23.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 111.934 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -72.78 -53.76 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.818 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.4 -36.38 83.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.584 HG23 ' HB3' ' A' ' 93' ' ' PHE . 16.6 p -58.1 -33.13 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.77 68.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.854 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.19 -49.78 40.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -53.62 -30.64 43.65 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.001 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -50.23 -41.09 49.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.689 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.25 -45.95 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.4 -28.62 59.86 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.86 -43.0 87.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.289 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.71 -26.43 66.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.765 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -53.35 -50.53 64.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.542 HG22 ' HG2' ' A' ' 115' ' ' LYS . 10.3 m -70.59 -44.34 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.006 -179.102 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.1 mmtt -94.59 34.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.18 -27.18 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.69 -32.87 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.37 168.99 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -120.43 -33.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -93.13 106.66 18.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.527 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.84 104.61 50.85 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.358 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.411 ' HD3' ' HE3' ' A' ' 180' ' ' LYS . 40.6 Cg_endo -66.94 132.07 27.23 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.333 2.022 . . . . 0.0 112.014 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.9 tp -148.49 155.2 40.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.008 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.9 tp -162.24 129.23 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.285 179.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.484 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -95.25 141.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 111.026 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.413 ' HB ' HG12 ' A' ' 92' ' ' VAL . 21.7 t -137.11 151.87 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.87 103.97 0.51 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -81.26 -166.22 1.11 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.4 ' O ' HD13 ' A' ' 95' ' ' ILE . 70.3 mmtt 63.22 12.74 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.049 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -60.22 -14.3 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.17 -7.32 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.555 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' ' 135' ' ' ARG . 55.6 mt -116.41 80.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.718 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.88 -17.18 62.73 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.9 pt-20 -93.48 -6.83 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.471 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.436 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.4 mtt180 -122.05 15.5 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.369 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.477 ' HE ' HD11 ' A' ' 95' ' ' ILE . 43.7 ttm180 -77.28 108.25 10.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -84.97 -31.69 23.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.312 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.409 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 48.5 t -103.68 101.03 21.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.569 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 11.6 Cg_endo -55.98 142.55 84.93 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.177 1.918 . . . . 0.0 111.208 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.3 p -55.34 -48.42 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.759 -179.253 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -54.9 -49.71 70.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.544 -179.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.4 -36.41 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.757 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.1 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -77.61 -32.61 53.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -66.31 -46.84 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -44.31 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.19 98.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.552 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.89 -31.68 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.03 -44.45 61.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.622 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.28 -23.0 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.11 28.62 5.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.19 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.15 -178.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.197 0.523 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.34 145.3 50.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.484 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.2 t80 -107.31 137.65 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.315 0.578 . . . . 0.0 111.814 -179.033 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.13 149.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.01 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.7 p -143.89 165.45 27.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.478 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.1 p -146.0 110.92 5.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.552 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.75 -4.3 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.814 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.89 -54.52 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 p -94.03 1.43 56.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.484 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 32.31 48.93 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.9 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.72 -56.03 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.094 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -111.99 11.63 20.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -63.52 -43.19 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.795 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.86 -21.96 59.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 179.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 167' ' ' LYS . 34.1 tptt -65.04 -41.97 94.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.706 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 165' ' ' VAL . 13.7 m -69.99 -27.25 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.794 0.33 . . . . 0.0 111.706 -178.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -75.28 -47.71 26.65 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -70.21 -41.44 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.419 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.36 -42.63 92.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.33 -32.41 68.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.5 ttm -62.47 -48.73 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -62.07 -31.05 71.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.462 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 86.4 mt -72.84 -54.48 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -52.18 -36.35 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.7 m -86.74 -58.95 2.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.421 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 83.8 tttt -70.41 -54.76 11.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.075 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 4.7 tppp? -57.33 -47.02 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.0 mmt -72.6 -13.0 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.0 t -64.81 -60.91 2.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.734 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 59.16 -178.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.186 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -112.43 -11.41 13.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.3 pttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.068 -179.74 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.577 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.36 141.9 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -107.63 107.18 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.76 122.72 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -105.11 117.94 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.988 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 134.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD11 ' HA3' ' A' ' 86' ' ' GLY . 28.4 mm -99.02 131.84 45.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.513 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tpt -85.15 95.67 9.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.545 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 1.9 t -83.89 167.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' H ' HG13 ' A' ' 20' ' ' VAL . . . 173.53 169.17 35.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.695 179.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.9 t -58.48 -67.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.118 0.485 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.99 -28.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.118 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.2 39.34 1.25 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.425 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 22' ' ' SER . 74.9 t -88.06 -62.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.687 0.279 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.42 43.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.726 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.513 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptpp? -54.64 -37.35 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 110.875 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 31' ' ' THR . 69.7 p -66.95 -30.0 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.119 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.61 -52.44 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.17 -24.65 64.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.1 m -74.09 -44.33 54.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.789 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.68 -38.95 73.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 16.2 mm100 -59.12 -37.85 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.976 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.67 -25.32 61.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.478 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 tpp -82.02 -49.61 10.05 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -108.51 -10.37 15.27 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.0 t70 60.03 31.99 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 110.519 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.08 151.94 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -90.39 105.98 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.46 151.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.978 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -112.92 117.39 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -134.62 -40.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 59.16 99.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -143.21 98.88 5.47 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.7 157.68 22.72 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.474 2.116 . . . . 0.0 112.094 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 69' ' ' THR . 13.7 t -113.4 155.65 24.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -126.13 -35.22 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.65 -7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -80.51 133.68 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.9 p -130.0 176.58 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.018 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -104.85 149.6 25.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -144.01 129.66 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.892 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.41 139.95 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 60.9 mttp -85.64 126.62 34.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.72 137.29 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -67.41 132.45 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD11 ' HG2' ' A' ' 174' ' ' ARG . 55.1 tp -134.17 107.04 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 56.27 31.34 18.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.91 -29.63 12.07 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.98 114.9 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.802 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.1 tt0 -74.4 118.15 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.34 147.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.264 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.508 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -82.29 129.52 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.514 HD11 ' HE1' ' A' ' 173' ' ' MET . 11.1 tt -108.88 138.1 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -120.19 113.81 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.4 mt -114.7 133.03 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.92 134.51 51.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.6 -43.49 89.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.55 ' H ' HG23 ' A' ' 46' ' ' THR . 73.1 p 51.74 -172.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.433 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.5 -175.85 0.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.2 100.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.181 179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.34 21.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.669 0.271 . . . . 0.0 111.369 -179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.78 18.55 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.09 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -57.85 153.61 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.51 -53.85 7.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.13 -5.18 1.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mt -67.85 -19.85 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -59.01 -37.15 76.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.73 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -53.93 -34.82 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -65.38 -45.63 83.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.304 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -65.78 -32.04 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.772 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -77.93 -7.95 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -96.66 5.97 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -138.94 167.05 25.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.575 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.437 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 41.4 mt-10 -106.86 -40.6 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.654 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -98.15 160.04 20.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.646 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -135.94 135.34 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.63 0.252 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.0 tp -130.28 106.37 8.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.565 HD13 ' HB ' ' A' ' 104' ' ' THR . 5.7 tp -83.06 138.81 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.688 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.9 t -142.42 131.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 0.0 111.621 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.509 ' HB3' HG22 ' A' ' 104' ' ' THR . 15.2 p90 -138.32 158.07 45.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.541 178.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.3 t -99.03 144.07 28.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 36.0 pt -77.26 -33.97 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.955 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.471 ' HG1' ' HE2' ' A' ' 129' ' ' LYS . 46.9 p -67.46 -10.62 53.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.018 179.679 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.18 99.89 4.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -62.8 -16.17 56.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.268 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.27 -26.52 62.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.488 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 89.6 p -67.19 -53.65 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.64 -38.51 55.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.664 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.2 p -71.89 -54.27 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.178 -178.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.93 89.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.565 ' HB ' HD13 ' A' ' 91' ' ' LEU . 33.1 p -54.36 -31.51 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.605 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.64 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.172 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -49.07 78.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.549 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.43 ' O ' HG13 ' A' ' 111' ' ' ILE . 69.9 m-85 -56.59 -34.67 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -49.91 -50.66 45.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.49 -37.0 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.18 -26.8 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.401 -179.564 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.6 mt -63.21 -41.7 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.951 0.405 . . . . 0.0 110.715 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.07 -29.85 68.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -63.83 -50.98 66.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.447 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 115' ' ' LYS . 5.0 m -66.35 -13.68 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.482 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.5 mmtt -121.12 36.07 4.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -13.15 14.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -98.5 -23.23 15.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.509 ' HG2' ' HZ3' ' A' ' 180' ' ' LYS . 11.4 tp10 -95.9 141.22 29.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.93 -49.21 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -76.52 107.46 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.1 mm -121.04 103.36 42.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.654 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 71.8 Cg_endo -76.92 123.83 7.04 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.488 2.125 . . . . 0.0 112.178 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.7 tp -135.69 161.38 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.7 tp -165.68 127.88 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.224 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 154' ' ' TYR . 2.7 p -101.32 143.33 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 0.0 111.46 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.435 HG11 HG11 ' A' ' 168' ' ' VAL . 34.6 t -141.88 156.07 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.27 128.17 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.66 -170.5 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.471 ' HE2' ' HG1' ' A' ' 96' ' ' THR . 28.6 mmmt 60.15 14.61 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 -179.849 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.432 ' HA ' HH21 ' A' ' 136' ' ' ARG . 42.7 t -62.61 -14.9 48.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.15 -15.33 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD11 ' HD3' ' A' ' 135' ' ' ARG . 39.5 mt -108.43 81.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.691 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.78 -17.49 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.451 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -91.88 -21.05 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD3' HD11 ' A' ' 132' ' ' LEU . 81.0 mtp180 -105.95 25.49 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.432 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.7 ttm105 -95.15 110.97 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.25 -31.8 22.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.6 107.53 40.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.283 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.59 130.96 35.57 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.001 1.801 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -48.35 -44.59 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -179.525 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.45 -47.77 75.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.38 -39.15 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.76 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.8 mtt180 -73.76 -38.49 64.69 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -63.09 -49.75 73.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.423 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -66.72 -43.59 83.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.817 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.42 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -64.11 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.267 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.06 -32.67 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -54.8 -38.66 67.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.423 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 22.1 m0 -70.36 -21.42 62.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.84 20.52 10.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.554 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.3 m -127.17 175.85 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.504 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -117.71 130.3 56.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.832 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.469 ' HA ' HG13 ' A' ' 125' ' ' VAL . 41.5 t80 -95.29 140.29 30.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.113 0.483 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.46 150.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.85 143.05 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.698 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 38.9 p -149.44 153.9 38.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.514 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.5 m -117.56 109.96 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.27 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.303 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -88.19 -34.07 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.7 p -100.89 -8.5 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? 34.95 37.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.565 0.541 . . . . 0.0 111.992 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.66 -55.65 5.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.124 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -108.9 13.05 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.45 ' O ' HG21 ' A' ' 168' ' ' VAL . 58.7 t -68.98 -42.12 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.281 . . . . 0.0 111.111 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.03 -14.88 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.554 ' HZ2' ' HB2' ' A' ' 171' ' ' ASP . 6.3 tmtm? -69.44 -31.83 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.211 -179.671 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 165' ' ' VAL . 3.0 m -76.81 -26.93 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.153 -179.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -72.06 -45.91 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -69.34 -36.9 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 167' ' ' LYS . 22.2 t70 -59.48 -54.01 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.43 -36.06 82.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.514 ' HE1' HD11 ' A' ' 64' ' ' ILE . 43.8 ttm -56.96 -42.61 80.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.453 ' HG2' HD11 ' A' ' 57' ' ' LEU . 93.8 mtt180 -67.99 -34.58 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.7 -33.39 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.3 mt -73.06 -54.97 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.425 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.452 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -57.35 -28.24 62.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.493 -179.23 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 61.2 m -88.21 -60.43 1.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.79 -54.54 9.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.509 ' HZ3' ' HG2' ' A' ' 118' ' ' GLU . 54.6 tptt -58.01 -39.28 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.5 mmt -81.16 -14.58 57.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.8 p -65.0 -59.01 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 52.74 92.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -170.75 174.45 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.807 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.783 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.55 177.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.786 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.4 tp -132.88 107.92 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' HB3' ' A' ' 177' ' ' ARG . 56.7 m-70 -104.24 115.11 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.81 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -93.76 117.45 30.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -107.16 128.89 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.18 132.96 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.522 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -83.92 83.69 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.715 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -90.84 153.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -175.51 -160.01 22.47 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.725 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 104' ' ' THR . 78.0 p -66.34 -46.94 75.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.643 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.82 -6.74 1.87 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.061 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.29 73.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.74 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.6 m -129.64 -20.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.841 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.37 49.54 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.923 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.6 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -60.71 -43.48 97.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.097 0.475 . . . . 0.0 110.411 179.817 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.2 p -57.67 -29.26 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.142 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.97 -52.26 66.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.91 -179.262 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 1.7 mm? -62.11 -24.83 67.37 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.544 HG21 HG21 ' A' ' 66' ' ' ILE . 86.5 m -73.43 -41.54 63.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.69 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.759 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HB2' HG22 ' A' ' 165' ' ' VAL . 15.0 mm100 -66.26 -28.71 68.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 111.333 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -73.54 -53.52 10.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.873 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 ttm -82.38 -49.72 9.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -89.17 -26.22 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.1 m-20 57.2 42.94 24.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.047 0.451 . . . . 0.0 110.217 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.09 141.01 21.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.204 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.93 106.94 19.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.663 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.7 p -134.94 151.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -83.16 7.17 16.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.534 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.4 t70 -93.43 139.07 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.062 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.28 171.8 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.25 124.2 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.767 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.35 122.6 12.07 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.366 2.044 . . . . 0.0 112.356 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.9 m -91.94 136.63 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HB2' ' HZ1' ' A' ' 47' ' ' LYS . 4.6 ttmp? -131.08 -46.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.17 -11.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -76.35 134.32 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.5 t -119.02 173.64 6.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -115.39 158.59 22.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -143.93 138.47 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -152.64 156.37 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -115.48 123.31 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.22 147.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.3 p -79.03 146.18 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.42 111.4 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.95 31.33 20.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.557 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.18 -19.64 45.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -106.78 114.6 28.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.5 tt0 -78.58 144.28 35.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.1 153.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.76 143.46 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.39 132.35 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -119.64 116.18 25.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.684 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.544 HG21 HG21 ' A' ' 31' ' ' THR . 82.4 mt -109.89 128.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 111.365 -179.6 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.2 113.94 18.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.134 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -78.77 117.16 19.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.2 p -102.08 117.5 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.83 -176.42 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.94 96.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.679 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.3 mt -78.14 6.07 8.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.561 0.219 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -50.94 -30.03 13.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.302 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -93.63 -151.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.759 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 67.18 155.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.9 -54.16 6.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.598 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.38 11.21 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.323 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.14 -17.44 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -55.26 -42.5 73.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.65 -31.34 47.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.338 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.37 -49.3 77.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -60.42 -35.38 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.301 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -78.14 -25.74 47.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' N ' HG11 ' A' ' 114' ' ' VAL . 55.2 ttt180 -83.81 -17.27 41.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -88.32 7.83 30.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.31 142.9 11.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.476 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 12.6 mm-40 -89.88 -37.14 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.87 20.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.1 143.0 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.006 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.425 HD11 HG22 ' A' ' 168' ' ' VAL . 3.1 tt -136.04 105.02 5.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.294 179.408 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD21 ' HB ' ' A' ' 104' ' ' THR . 18.8 tp -83.0 132.53 35.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.285 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.445 HG11 HD23 ' A' ' 30' ' ' LEU . 25.2 t -131.92 119.61 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.5 p90 -126.96 141.29 51.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.91 0.386 . . . . 0.0 110.465 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.0 t -85.93 143.58 28.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.358 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 129' ' ' LYS . 5.0 pt -78.79 -32.95 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.684 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 p -59.39 -37.38 77.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.57 106.32 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -62.61 -16.41 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.699 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.56 -26.55 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.143 0.497 . . . . 0.0 110.079 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -65.51 -52.23 54.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -55.09 -37.27 66.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.768 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.22 -53.79 11.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.728 -179.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.28 91.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.597 ' HB ' HD21 ' A' ' 91' ' ' LEU . 14.8 p -59.32 -40.6 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 178.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.93 65.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.765 179.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.66 -31.13 66.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.862 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -76.5 -26.51 55.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.484 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -54.26 -40.77 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.631 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.73 -28.98 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -73.53 -26.26 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.08 -37.93 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.34 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.77 -25.97 65.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.1 mmp_? -50.68 -51.15 52.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG21 ' HG2' ' A' ' 115' ' ' LYS . 6.1 m -66.63 -36.06 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.4 mmtt -105.25 54.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -39.89 33.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.384 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.44 -47.63 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.402 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 56.19 105.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.199 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.61 -50.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.774 179.077 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.422 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.4 mmtt -146.15 81.7 1.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.639 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 19.9 mm -84.35 110.3 25.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.03 130.91 6.7 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.858 2.372 . . . . 0.0 111.043 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.4 tp -153.12 159.0 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.537 -179.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.419 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 23.9 tp -162.32 118.91 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.324 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 147' ' ' ALA . 3.7 p -96.11 143.75 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.52 -179.296 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.475 HG21 HG12 ' A' ' 168' ' ' VAL . 5.9 p -142.91 154.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.137 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -123.36 110.78 1.56 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.149 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.37 -166.36 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.407 ' O ' HD13 ' A' ' 95' ' ' ILE . 71.1 mmtt 59.8 13.2 3.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.178 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -60.65 -13.3 13.74 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.144 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.86 -3.45 9.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.69 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.506 HD12 ' HD3' ' A' ' 135' ' ' ARG . 32.7 mt -120.36 85.06 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.9 -25.88 61.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.0 pt-20 -86.41 -6.71 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.506 ' HD3' HD12 ' A' ' 132' ' ' LEU . 79.0 mtp180 -119.51 6.67 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.9 ttm180 -75.42 109.42 8.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.507 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -88.81 -30.24 19.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.547 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.43 106.16 37.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.198 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.81 128.56 29.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.014 1.81 . . . . 0.0 111.398 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -50.27 -43.96 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -60.76 -47.51 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.102 -179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.41 -35.37 75.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.93 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.2 mtt180 -64.9 -46.6 81.04 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -58.81 -50.3 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.483 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.463 ' NZ ' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -66.27 -40.29 90.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 -179.35 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.474 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -66.61 -31.59 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.373 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -32.37 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.892 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.13 -45.85 65.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.463 ' HE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.5 m0 -66.66 -23.26 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.89 25.63 6.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.556 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.44 174.13 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.086 0.47 . . . . 0.0 111.618 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -115.76 131.56 56.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.414 178.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.468 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -95.14 140.65 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 111.418 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.417 HG13 HG22 ' A' ' 126' ' ' VAL . 9.2 p -135.34 154.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.484 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.47 144.31 26.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 34.2 p -150.73 165.09 34.54 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.044 0.45 . . . . 0.0 111.493 -179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.539 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 51.6 m -139.62 111.94 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.418 179.483 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.96 -3.03 6.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -93.53 -42.39 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.539 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 70.7 p -94.61 -4.93 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.45 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 35.56 38.82 0.05 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.908 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.42 -55.66 5.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.113 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -111.62 15.62 20.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.593 -179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.494 HG22 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -64.45 -39.41 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.75 0.309 . . . . 0.0 110.987 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.55 -21.74 60.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.65 -32.01 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 165' ' ' VAL . 6.3 m -77.61 -29.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -73.79 -43.53 58.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.779 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -72.06 -46.39 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.452 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 15.4 t70 -57.71 -41.31 81.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 176' ' ' ILE . 65.5 tp -71.34 -32.51 68.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.744 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.0 ttm -66.18 -37.44 85.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.452 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 88.9 mtm180 -68.45 -47.79 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.915 -179.116 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.7 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.565 0.221 . . . . 0.0 111.521 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 81.2 mt -69.52 -53.49 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.1 ptm180 -71.67 -23.64 61.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.3 m -88.07 -59.82 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.422 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 57.1 tttp -71.14 -54.09 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.476 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 57.1 tttm -61.91 -59.43 5.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.462 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.8 mmt -54.28 -18.67 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.676 0.274 . . . . 0.0 111.612 -179.294 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t -64.75 -61.08 2.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.254 -179.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 54.41 89.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -84.5 -39.07 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.871 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.642 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 7.3 mp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.714 0.292 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.03 161.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -129.8 109.97 11.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.03 138.9 39.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 95.3 mttt -105.33 146.01 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 111.258 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.6 114.93 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mm -99.14 107.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.411 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.9 tpt -69.96 85.81 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.6 p -99.14 163.6 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' HA2' HD23 ' A' ' 91' ' ' LEU . . . 172.23 -160.59 32.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.7 t -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.29 34.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.215 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.31 51.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.94 14.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.9 58.43 2.01 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.393 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.6 mttp -76.62 -52.07 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 63.3 p -55.2 -30.36 59.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.278 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.7 -52.78 48.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.584 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.98 -24.78 63.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 35.5 m -70.28 -45.86 65.49 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.381 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.35 -29.71 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.455 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.4 mm100 -66.19 -36.27 82.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.96 -32.41 65.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.841 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.458 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 46.3 ttm -81.95 -49.4 10.33 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -103.34 -13.52 16.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.101 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 15.0 m-20 57.95 32.34 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.115 0.483 . . . . 0.0 110.061 -179.259 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.43 136.97 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.613 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -78.29 116.85 19.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG13 ' H ' ' A' ' 42' ' ' ASP . 40.9 t -133.68 150.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.53 19.47 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.127 -179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' H ' HG13 ' A' ' 40' ' ' VAL . 18.9 t70 -61.75 152.18 31.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -121.12 129.52 53.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -124.22 104.86 31.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.38 152.5 53.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 m -110.29 122.74 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.002 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -134.25 -65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -3.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.59 126.4 35.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.757 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -108.17 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 21.0 m-85 -93.03 163.92 13.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.796 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -151.31 135.39 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HZ2' ' HA ' ' A' ' 35' ' ' MET . 40.2 ttpt -155.71 147.22 22.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.764 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -99.96 124.79 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.37 140.56 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.96 139.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 HD22 HH11 ' A' ' 177' ' ' ARG . 65.7 tp -144.21 114.63 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.33 30.97 17.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.21 20.53 57.03 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.677 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.37 113.93 10.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.01 114.28 21.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.79 158.84 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.25 147.77 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.55 126.63 75.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -114.83 114.05 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.4 mt -116.56 144.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 69' ' ' THR . 41.3 tp -106.93 134.46 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.549 179.55 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.71 -32.17 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.51 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 62.2 p 51.61 -176.31 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.653 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -175.04 -172.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.07 101.93 0.31 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.318 179.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 63.5 mt -79.31 9.71 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.54 -16.87 55.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.7 -25.27 59.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -92.75 140.61 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -46.06 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.164 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.43 -1.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.355 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.25 -17.57 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.043 0.449 . . . . 0.0 110.763 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 8.0 ptp180 -58.4 -32.29 68.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.253 -179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.92 -31.06 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.362 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -49.88 -42.9 48.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -61.13 -32.87 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.578 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -84.22 -21.64 31.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -76.81 -35.5 57.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.177 -179.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -92.57 6.44 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.89 160.1 13.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 9.1 mm-40 -108.27 -59.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.373 . . . . 0.0 110.644 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -88.46 154.03 24.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.087 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -135.25 132.47 37.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.659 0.266 . . . . 0.0 111.057 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.92 102.27 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.909 179.556 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.613 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.09 121.29 26.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.513 HG11 HG13 ' A' ' 126' ' ' VAL . 15.8 t -128.45 140.83 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.057 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -149.46 150.77 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.495 178.328 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 45.2 m -87.36 143.82 27.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.045 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.444 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.1 pt -75.75 -41.82 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 t -69.42 -10.13 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -118.62 96.72 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.98 -17.15 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.33 -26.19 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.428 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 19.5 m -70.16 -53.72 16.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.252 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -54.4 -36.13 63.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.17 -53.26 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.0 70.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.066 0.46 . . . . 0.0 110.81 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.614 HG21 ' HB3' ' A' ' 93' ' ' PHE . 21.7 p -71.86 -30.96 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.95 -41.91 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.917 -179.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.447 ' HG3' ' HD1' ' A' ' 107' ' ' PHE . 7.4 pt-20 -73.57 -42.67 61.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.581 0.229 . . . . 0.0 111.261 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.447 ' HD1' ' HG3' ' A' ' 106' ' ' GLU . 8.5 m-85 -55.92 -27.86 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.769 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 3.2 tmt_? -53.85 -47.36 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -70.77 -38.21 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.016 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.86 -28.3 61.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.74 -48.2 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.28 -26.4 66.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -54.76 -50.23 68.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.285 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.409 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -72.74 -12.39 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.272 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -118.11 34.8 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -18.87 62.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.538 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -91.33 -19.49 22.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.7 168.46 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.78 -63.96 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -74.16 108.88 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.716 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -113.36 117.79 44.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.049 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.49 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.0 Cg_endo -68.98 97.14 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.133 1.889 . . . . 0.0 111.843 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -122.52 156.22 34.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.687 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.2 tp -161.28 124.68 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.601 HG13 ' HB3' ' A' ' 147' ' ' ALA . 2.5 p -99.77 143.26 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.453 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.513 HG13 HG11 ' A' ' 92' ' ' VAL . 7.9 p -144.42 156.59 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.57 109.59 1.69 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.188 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -80.13 -174.16 4.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.41 ' O ' HD12 ' A' ' 95' ' ' ILE . 10.0 mmmm 58.01 18.74 5.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.561 ' HB3' ' HG ' ' A' ' 158' ' ' SER . 41.4 t -59.95 -17.88 41.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.374 -179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.02 -7.74 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.5 mt -109.43 79.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.7 -13.99 61.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -93.74 -24.07 17.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.464 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -100.7 0.12 38.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.4 ttm180 -66.84 107.95 2.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.32 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -94.74 -27.51 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.18 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.8 103.5 10.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.245 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 17.7 Cg_endo -59.3 126.57 21.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.04 1.826 . . . . 0.0 111.182 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.519 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -49.48 -43.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.497 -179.384 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.89 -49.58 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.271 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.459 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 36.1 tt0 -66.74 -31.63 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.543 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.46 66.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.5 mtt180 -72.45 -42.7 64.72 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.265 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -58.38 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.458 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.4 OUTLIER -67.71 -47.46 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 -179.578 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.601 ' HB3' HG13 ' A' ' 125' ' ' VAL . . . -58.59 -31.85 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.2 -32.71 73.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.83 -48.17 67.17 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.458 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 11.7 m0 -61.46 -25.8 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.639 179.582 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.67 7.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.63 159.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 111.81 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -98.12 136.03 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.797 178.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.531 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.8 t80 -100.8 142.99 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 111.484 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.31 155.11 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -93.41 144.74 25.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.2 p -150.34 152.56 34.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.65 -179.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.561 ' HG ' ' HB3' ' A' ' 130' ' ' SER . 67.7 m -121.52 111.4 17.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.356 179.421 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -11.33 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.634 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -87.67 -48.1 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.447 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 41.3 p -85.71 -6.57 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.18 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.576 0.548 . . . . 0.0 112.07 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.34 -56.22 4.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.873 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -112.41 17.64 19.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.591 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.02 -41.88 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.259 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -14.81 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.741 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 29.3 m -73.57 -26.87 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -70.94 -48.52 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.99 -40.77 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.303 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.01 -43.07 91.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.035 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.91 -32.92 70.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.86 -34.6 77.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.958 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.48 -47.28 76.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 71.9 mt -57.88 -32.42 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.37 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 181' ' ' MET . 57.2 mtp180 -75.12 -52.85 9.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.878 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 95.5 m -87.83 -59.21 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -178.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -60.53 -53.31 59.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -178.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.602 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 0.2 OUTLIER -64.05 -39.94 95.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.63 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.417 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 55.6 mtt -81.08 -17.92 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 94.6 p -64.34 -60.77 2.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.711 0.291 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 56.83 91.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.6 m120 58.63 -172.71 0.1 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.929 179.875 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.417 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.565 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.26 128.16 34.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -98.19 107.66 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -104.49 143.84 32.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.533 ' HD2' ' HG3' ' A' ' 87' ' ' GLU . 99.4 mttt -109.55 146.22 35.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' HB ' HG12 ' A' ' 66' ' ' ILE . 3.3 t -128.84 116.94 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.326 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.491 HD12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -104.95 106.09 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.803 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.486 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.18 103.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG11 ' HA ' ' A' ' 91' ' ' LEU . 14.2 p -116.92 151.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.033 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.442 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 166.41 82.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.819 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.498 ' N ' HG23 ' A' ' 104' ' ' THR . 24.7 t 60.26 -84.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 111.265 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.43 -48.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.089 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.6 86.08 0.38 Allowed Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.339 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 93' ' ' PHE . 85.2 t -129.23 -62.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.745 0.307 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.21 44.35 0.04 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.376 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 73.0 mttt -56.52 -47.85 78.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.0 0.429 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.494 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -55.89 -29.79 60.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.3 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.11 -52.93 63.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.082 -179.081 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.465 HD21 HG13 ' A' ' 92' ' ' VAL . 1.3 mm? -63.22 -25.02 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.494 ' HB ' ' O ' ' A' ' 28' ' ' SER . 28.6 m -67.56 -43.5 80.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.682 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.05 -47.68 57.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.809 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HB2' HG11 ' A' ' 165' ' ' VAL . 9.1 mm100 -58.79 -34.84 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.891 0.376 . . . . 0.0 111.012 -179.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -72.64 -29.23 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.712 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 tpp -82.69 -49.7 9.51 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -115.14 9.42 15.86 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.7 p30 41.72 36.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' HE22 ' A' ' 33' ' ' GLN . 38.3 tt0 -146.97 138.41 24.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.719 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' H ' HH11 ' A' ' 162' ' ' ARG . 62.5 t80 -84.39 105.86 15.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.65 140.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -89.58 132.16 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -147.67 -31.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.2 t80 58.95 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.86 111.99 65.26 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.92 127.37 17.6 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.402 2.068 . . . . 0.0 112.231 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -117.15 118.27 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.11 -45.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.341 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.69 -10.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.22 127.85 33.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 76.3 p -109.35 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -108.51 160.1 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.577 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -149.33 140.08 22.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -158.8 141.01 13.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.835 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -96.65 115.63 27.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.79 149.07 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.9 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.412 HD21 ' SD ' ' A' ' 173' ' ' MET . 67.1 tp -146.25 115.47 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 57.3 30.93 19.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.61 -32.82 5.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.668 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.21 124.02 35.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.6 tt0 -87.15 120.29 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.75 147.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.82 140.22 34.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -116.84 139.43 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.4 113.33 13.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.432 HG12 ' HB ' ' A' ' 17' ' ' VAL . 77.3 mt -107.93 145.81 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.06 114.53 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.62 136.95 45.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.682 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -107.68 -20.15 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.383 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.75 -168.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.66 98.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.589 HD21 ' HA ' ' A' ' 79' ' ' ARG . 84.4 mt -82.43 10.18 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.63 -15.33 51.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -99.82 -167.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 64.44 153.57 0.05 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.74 7.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.256 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.06 -1.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.177 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.515 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -59.57 -17.28 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.096 0.474 . . . . 0.0 110.537 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.589 ' HA ' HD21 ' A' ' 72' ' ' LEU . 15.4 ttp180 -65.66 -52.84 48.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.196 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -57.39 -31.22 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.316 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.515 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 27.3 m-80 -52.28 -38.52 58.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.566 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.96 -41.42 95.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.347 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' HB3' HG22 ' A' ' 114' ' ' VAL . 71.2 m-85 -67.95 -33.01 73.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.274 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -79.41 -11.89 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.3 m -98.74 13.85 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.491 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -134.41 -177.04 14.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.898 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 44.4 mt-10 -122.53 -56.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.672 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.94 160.22 22.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.223 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -130.89 139.95 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -127.9 105.1 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.762 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD22 ' HB ' ' A' ' 104' ' ' THR . 14.4 tp -82.93 124.32 30.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.465 HG13 HD21 ' A' ' 30' ' ' LEU . 21.9 t -137.07 107.79 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.46 -179.361 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.609 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.3 p90 -114.88 168.55 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.658 179.195 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' H ' ' HG ' ' A' ' 94' ' ' SER . 1.3 p -104.11 139.41 39.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 26.9 pt -72.36 -39.0 62.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 40.3 p -65.37 -22.93 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.534 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -109.84 95.64 5.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.849 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -62.61 -15.62 52.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.81 -26.85 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.478 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 104' ' ' THR . 80.1 p -73.33 -54.78 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.903 -178.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -51.92 -34.61 42.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.754 -179.339 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.9 p -73.13 -54.21 9.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.94 93.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.201 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.609 HG21 ' HB3' ' A' ' 93' ' ' PHE . 28.9 p -52.57 -31.44 36.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.183 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.65 -47.15 79.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.764 -179.248 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.89 -39.82 72.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 111.491 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.508 ' HA ' HE21 ' A' ' 110' ' ' GLN . 21.6 m-85 -54.62 -23.87 18.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.404 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -47.44 -44.18 24.65 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.114 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 43.5 mt-10 -70.4 -46.71 63.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.597 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 107' ' ' PHE . 48.1 mt-30 -56.31 -36.77 69.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.658 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.8 mt -59.26 -46.93 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.76 -27.55 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 60.2 mtp180 -55.32 -50.92 68.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.511 HG22 ' HB3' ' A' ' 83' ' ' PHE . 9.3 m -69.84 -19.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.647 -179.491 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.4 mmtt -117.83 39.41 3.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.58 61.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.391 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -100.79 -1.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.204 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 23.9 mm-40 -106.29 151.91 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.73 -62.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -84.67 121.08 27.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.0 mm -114.98 105.35 53.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.76 128.29 28.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.406 2.071 . . . . 0.0 111.982 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 56.3 tp -148.98 159.06 44.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 90' ' ' LEU . 55.9 tp -166.34 123.63 1.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.86 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.504 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -99.01 141.78 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.439 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.496 HG12 HG11 ' A' ' 168' ' ' VAL . 21.4 t -144.84 151.89 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.757 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -124.2 110.87 1.5 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.102 179.608 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -82.45 -167.68 1.69 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.411 ' HG2' ' OG1' ' A' ' 96' ' ' THR . 10.4 tppt? 58.77 16.54 4.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 54.5 m -64.97 -8.16 14.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.11 -8.37 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.287 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.496 HD12 ' HD3' ' A' ' 135' ' ' ARG . 32.9 mt -117.01 80.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.509 ' HG2' HH22 ' A' ' 136' ' ' ARG . 42.3 mt-10 -71.79 -22.92 61.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.58 -9.08 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HD3' HD12 ' A' ' 132' ' ' LEU . 45.9 mtp180 -115.78 1.15 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.31 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.509 HH22 ' HG2' ' A' ' 133' ' ' GLU . 41.7 ttm180 -64.92 113.19 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -87.61 -29.66 21.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.0 t -100.36 105.48 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.48 124.97 17.43 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.905 1.737 . . . . 0.0 111.392 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.52 -43.86 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.198 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.4 -48.25 79.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.29 -36.28 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.0 -28.83 67.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 99.3 mtt180 -64.19 -48.99 73.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.508 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -62.92 -48.72 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.855 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.8 73.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -53.36 -31.62 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -50.89 -49.03 60.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -71.9 -16.82 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.05 14.69 28.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.055 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.25 -176.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.187 0.518 . . . . 0.0 111.393 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.64 132.78 51.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.662 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.504 ' HD1' HG23 ' A' ' 125' ' ' VAL . 40.4 t80 -95.23 139.58 31.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.028 0.442 . . . . 0.0 111.358 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.32 152.97 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -92.63 141.07 28.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.467 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 54.8 p -146.12 158.29 43.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.997 0.427 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.425 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 69.3 m -134.42 108.97 8.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.433 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.4 -18.41 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.503 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -79.11 -25.54 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 72.4 p -101.37 -21.02 14.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.289 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.578 HH11 ' H ' ' A' ' 39' ' ' PHE . 8.6 mtm180 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.36 -56.17 4.66 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -111.04 19.46 18.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.508 HG11 ' HB2' ' A' ' 33' ' ' GLN . 58.1 t -67.3 -49.55 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 0.0 110.954 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.77 -16.08 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.747 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -64.63 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.496 HG11 HG12 ' A' ' 126' ' ' VAL . 4.0 m -81.3 -26.64 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.585 -179.334 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -73.37 -44.66 58.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -71.82 -32.59 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -67.09 -49.36 65.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.12 -32.5 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.412 ' SD ' HD21 ' A' ' 57' ' ' LEU . 40.6 ttm -59.31 -44.36 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -63.68 -34.14 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.12 -40.01 94.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.305 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.501 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.2 mt -66.68 -34.67 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.515 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.425 ' O ' ' HB2' ' A' ' 181' ' ' MET . 70.9 mtp180 -75.55 -40.45 56.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.711 0.291 . . . . 0.0 111.624 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -87.34 -58.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -67.12 -54.36 22.11 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 85.3 tttt -61.62 -50.79 71.16 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -66.71 -13.8 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t -66.74 -60.2 2.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 59.34 95.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.344 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -165.48 151.5 9.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.638 ' HZ3' ' HB2' ' A' ' 185' ' ' LYS . 9.8 mtmp? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.036 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.442 HNB3 ' H1 ' ' A' ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.442 ' H1 ' HNB3 ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.85 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.95 106.85 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.008 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -105.25 128.41 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 59.2 mttp -103.65 134.22 47.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 0.0 111.54 -179.392 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -118.43 131.14 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.865 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.53 112.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.503 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 3.6 mmt -61.28 98.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.005 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.6 p -104.57 154.99 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.539 179.439 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 178.98 -161.12 27.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.707 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 55.1 p -62.07 -49.1 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.689 -179.832 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . 151.86 -10.61 0.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.496 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.16 85.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' ' 93' ' ' PHE . 29.0 m -135.33 -8.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 179.597 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.1 43.66 2.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.815 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 49.8 mtmt -59.35 -43.54 92.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.531 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.2 p -58.22 -29.1 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.97 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.67 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.766 -179.235 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HB2' ' HE1' ' A' ' 19' ' ' MET . 1.8 mm? -59.93 -25.25 65.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 28' ' ' SER . 22.5 m -74.15 -40.76 62.37 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.689 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.811 -179.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -74.39 -38.43 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -72.94 -37.14 67.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.737 0.303 . . . . 0.0 111.49 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 98.2 mmm -82.59 -50.13 9.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.25 -22.11 12.72 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 61.01 57.23 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.067 0.461 . . . . 0.0 110.246 -179.127 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -157.56 133.09 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.631 -179.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -94.34 106.08 18.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -152.73 150.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.17 106.83 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -163.25 138.91 6.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.54 153.23 50.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.0 125.9 8.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.58 149.18 68.81 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.396 2.064 . . . . 0.0 112.213 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 m -127.26 126.12 42.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.02 -51.96 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.0 -0.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -85.7 130.64 34.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.7 t -127.5 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 39.7 m-85 -107.9 146.49 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.763 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -144.97 138.66 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 111.064 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' HZ2' HG12 ' A' ' 55' ' ' VAL . 6.4 ptmm? -151.97 144.83 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 34.0 mtmm -92.66 125.59 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.543 HG12 ' HZ2' ' A' ' 53' ' ' LYS . 22.5 m -143.26 141.27 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.716 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.0 p -73.1 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -142.93 105.75 4.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 56.82 30.91 18.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.72 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.14 3.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.66 113.76 26.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.6 tt0 -79.71 115.24 19.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.911 179.765 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.04 141.25 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.606 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.531 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.5 mt-30 -81.16 138.1 35.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -111.5 130.06 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.6 t70 -110.93 113.91 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.571 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.472 HG21 HG22 ' A' ' 31' ' ' THR . 73.0 mt -104.19 122.74 57.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 111.438 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.74 106.07 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.267 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.3 122.05 14.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.5 p -123.92 155.09 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.65 -178.29 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.942 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.42 116.96 9.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.036 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 79' ' ' ARG . 5.2 mp -84.45 6.35 23.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.631 0.253 . . . . 0.0 110.865 -179.579 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 61.07 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.507 ' HA ' HH21 ' A' ' 79' ' ' ARG . 19.4 t70 -147.24 -72.15 0.22 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.729 0.3 . . . . 0.0 111.207 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 59.81 176.57 0.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.49 -54.08 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.555 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.06 25.93 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.156 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.31 -17.92 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.507 HH21 ' HA ' ' A' ' 74' ' ' ASP . 91.2 mtt180 -57.04 -53.79 54.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -55.62 -34.46 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -62.78 -34.72 77.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.242 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -78.46 -34.13 47.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -74.93 -19.6 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -83.01 -24.33 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.124 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 t -73.22 -3.49 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.67 165.28 22.25 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.394 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -103.26 -44.51 5.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.6 166.5 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.449 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.28 141.31 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.45 108.74 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.58 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD22 ' HB ' ' A' ' 104' ' ' THR . 7.3 tp -82.65 132.13 35.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.841 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.31 133.83 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.582 ' HA ' HG12 ' A' ' 25' ' ' VAL . 13.1 p90 -145.29 156.16 43.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.641 178.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 t -95.97 145.91 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.525 HG12 ' HB3' ' A' ' 129' ' ' LYS . 10.6 pt -77.17 -36.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -67.88 -13.44 62.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.944 0.402 . . . . 0.0 110.612 179.479 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -121.34 93.5 4.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.56 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -61.7 -16.42 48.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.391 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.96 -26.97 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -69.95 -51.89 28.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.192 -179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -53.45 -40.09 64.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.225 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -72.69 -53.71 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.035 -179.423 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -35.83 74.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.633 ' HB ' HD22 ' A' ' 91' ' ' LEU . 7.9 p -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.87 68.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -68.66 -45.11 72.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.222 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.12 -23.85 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.88 179.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -48.07 -56.2 8.34 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.453 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.39 -35.6 73.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.444 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -57.08 -30.02 63.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.061 0.458 . . . . 0.0 110.644 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.51 -35.85 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.659 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.48 -25.37 65.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -50.32 -51.3 46.57 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.549 HG22 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -62.72 -35.58 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.549 ' HG2' HG22 ' A' ' 114' ' ' VAL . 66.9 mmtt -109.93 59.7 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -46.12 33.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.688 -179.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.64 -34.26 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.032 0.444 . . . . 0.0 110.018 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 54.05 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.582 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -119.85 -54.83 2.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.06 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.536 ' HD2' ' HG3' ' A' ' 179' ' ' LYS . 73.4 mmtt -151.58 86.84 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.18 112.2 55.22 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.216 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.89 127.82 15.03 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.458 2.105 . . . . 0.0 111.821 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.407 ' HB3' HG12 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -140.27 148.13 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.405 ' H ' HD22 ' A' ' 123' ' ' LEU . 26.3 tp -155.8 112.13 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.788 178.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.527 HG11 ' HB3' ' A' ' 147' ' ' ALA . 2.5 p -90.19 137.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -178.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.533 HG12 HG13 ' A' ' 168' ' ' VAL . 16.1 t -144.55 144.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.06 124.31 5.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.971 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -91.64 -166.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.701 0.286 . . . . 0.0 110.515 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.525 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.2 tppt? 65.62 8.72 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -57.71 -12.66 3.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.53 -9.14 16.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.397 . . . . 0.0 110.594 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.572 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.1 mt -120.9 94.79 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.85 -48.01 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.0 -18.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.784 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.572 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.1 mtt180 -104.32 20.45 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.6 ttm180 -94.36 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.281 179.566 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -81.06 -38.19 27.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.69 111.5 51.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.65 133.38 45.03 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.122 1.881 . . . . 0.0 111.33 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.524 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -52.81 -44.69 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.5 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.01 -49.4 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 -179.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.19 -34.31 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.408 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.82 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.382 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.524 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 93.3 mtt180 -73.8 -41.24 62.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.336 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -61.35 -42.2 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.453 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.513 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.3 tmmm? -74.92 -48.58 23.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.527 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -56.35 -37.9 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.433 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.45 -31.27 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.1 -47.26 61.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.513 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 37.5 m0 -64.02 -19.2 65.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.1 13.23 37.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.998 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 150' ' ' TRP . 12.7 m -114.83 -178.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.12 0.486 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -121.18 129.37 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.063 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG23 ' A' ' 125' ' ' VAL . 26.7 t80 -95.46 139.87 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.587 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.6 152.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.422 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.99 148.13 23.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.336 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.2 p -151.72 166.49 31.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 0.0 111.79 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -139.14 112.81 8.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.184 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.05 -4.56 4.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.426 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -96.9 -55.51 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.04 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 59.2 p -76.87 -9.18 58.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? 35.17 39.06 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.964 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.45 -55.52 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.05 15.93 25.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.571 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -66.66 -43.37 90.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -73.07 -15.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.203 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.79 -34.11 71.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.512 -179.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.533 HG13 HG12 ' A' ' 126' ' ' VAL . 3.2 m -71.84 -30.53 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.777 0.323 . . . . 0.0 111.255 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.15 -44.73 45.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.236 -179.776 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -72.32 -36.75 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.56 -47.29 82.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.88 -32.48 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.53 -46.28 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.2 -34.64 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 23.8 mm-40 -64.3 -30.85 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 99.0 mt -72.64 -51.41 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.292 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.7 ptm180 -67.11 -23.26 65.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.662 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.7 m -88.07 -59.58 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.586 ' HZ3' ' HB2' ' A' ' 179' ' ' LYS . 0.5 OUTLIER -71.03 -55.85 7.4 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.494 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.05 -59.94 4.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -55.14 -19.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.155 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.1 t -78.86 -47.35 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 62.88 166.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -71.53 -23.09 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.515 ' HB3' ' HZ3' ' A' ' 185' ' ' LYS . 4.1 ttpm? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.578 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 5.7 mp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.03 176.8 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.751 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.61 106.13 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -107.59 146.06 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 68.1 mttm -124.76 117.03 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -101.82 116.23 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.629 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.536 HD13 ' HA3' ' A' ' 86' ' ' GLY . 36.6 mm -85.7 128.58 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.606 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -84.11 93.17 8.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.8 p -114.05 156.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.455 179.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.627 ' HA2' HD21 ' A' ' 91' ' ' LEU . . . 158.87 86.92 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.155 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB2' HG22 ' A' ' 104' ' ' THR . 27.6 t 59.24 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.956 0.407 . . . . 0.0 111.045 179.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 174.33 -87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.015 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.13 67.88 3.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.982 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 HG13 ' HA ' ' A' ' 93' ' ' PHE . 96.5 t -114.21 -46.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.432 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.13 33.83 0.4 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.331 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 46.4 mtmt -55.4 -31.51 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.4 p -68.78 -30.16 68.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.761 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.3 -52.31 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.876 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 165' ' ' VAL . 2.9 mm? -57.12 -25.14 58.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.272 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.7 m -74.19 -50.48 19.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.88 -38.55 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.275 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 11.9 mm100 -64.81 -40.46 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.378 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.87 -30.78 64.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 31' ' ' THR . 96.6 mmm -80.3 -49.27 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.64 -7.87 14.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 27.4 t70 56.03 45.17 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 109.908 -179.405 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.552 ' HA ' HH11 ' A' ' 162' ' ' ARG . 9.5 tp10 -154.37 131.59 11.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.03 -179.348 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -85.86 105.86 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.8 p -118.05 142.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.7 -36.88 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.1 t70 -64.12 137.46 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.83 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -121.39 162.3 20.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.73 100.53 19.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.96 139.56 47.56 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.411 2.074 . . . . 0.0 112.267 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.3 m -86.4 145.15 26.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -135.39 -41.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.45 -3.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.71 137.47 33.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 m -109.31 156.13 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -110.58 155.7 21.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -148.89 150.89 33.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -166.06 154.17 10.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -115.77 127.79 55.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.22 159.8 28.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.41 141.62 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' SD ' ' A' ' 173' ' ' MET . 56.0 tp -140.55 99.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.681 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.91 30.87 16.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.35 -36.37 4.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -79.57 128.36 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.022 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -100.61 114.33 27.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.993 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.38 157.37 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.005 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.12 141.71 28.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 tt -117.69 144.04 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.729 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.573 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 9.2 t70 -135.99 121.8 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.027 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -106.81 126.31 62.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 68' ' ' ASP . 3.0 tm? -128.79 135.46 49.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.515 ' N ' HD12 ' A' ' 67' ' ' LEU . 24.4 t70 65.81 121.69 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.308 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.415 ' HB ' ' HA ' ' A' ' 28' ' ' SER . 75.1 p -135.22 14.05 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.31 164.95 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.923 0.392 . . . . 0.0 111.394 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.496 ' HA2' ' HZ2' ' A' ' 27' ' ' LYS . . . -60.18 120.64 23.66 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.565 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 68.0 mt -86.78 24.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -89.86 -13.96 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -80.96 5.62 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.274 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.436 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 71.7 m-85 -119.74 135.2 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.25 -46.61 55.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.79 7.0 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.377 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 43.8 mt -84.75 -19.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 0.0 110.89 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 13.7 ptp180 -59.77 -36.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.174 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.39 -33.07 71.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.711 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.53 -34.47 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.35 -46.68 39.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.363 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG23 ' A' ' 114' ' ' VAL . 68.1 m-85 -62.87 -24.35 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.73 -39.24 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.0 p -73.15 -1.17 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.032 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.536 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -112.09 175.12 16.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.681 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -119.78 -50.5 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.01 169.95 23.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.976 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -139.84 138.64 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.057 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD11 HG23 ' A' ' 168' ' ' VAL . 4.2 tp -130.2 103.93 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD21 ' HA2' ' A' ' 21' ' ' GLY . 3.2 tm? -85.79 125.85 33.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.44 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.49 135.34 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.799 0.333 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -138.09 150.8 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.722 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 m -89.06 134.66 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 42.4 pt -67.7 -31.85 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -25.43 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.68 99.56 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.034 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -62.79 -16.46 58.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.69 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.59 -27.76 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.6 p -70.57 -53.72 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.424 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.74 -39.32 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.9 p -73.05 -53.84 10.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.432 -179.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.36 80.59 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.332 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.585 HG21 ' HB3' ' A' ' 93' ' ' PHE . 19.6 p -55.18 -31.37 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.171 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.239 -179.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.0 -40.64 98.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.751 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.99 -25.46 66.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -50.7 -44.33 57.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.929 0.395 . . . . 0.0 110.672 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 40.7 mt-10 -70.84 -42.04 70.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.068 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -56.28 -36.77 68.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.131 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.4 mt -59.0 -47.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.0 -29.97 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 56.2 mtp180 -60.95 -51.03 70.97 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 111.673 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 83' ' ' PHE . 5.3 m -66.98 -13.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.557 -179.661 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.446 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.7 mmtt -124.18 28.69 6.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.759 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.58 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.41 -25.75 38.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.731 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.34 -178.26 7.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -126.0 -59.98 1.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -81.98 112.15 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.63 104.32 54.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.75 131.14 24.99 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.319 2.013 . . . . 0.0 112.157 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.0 tp -143.17 158.8 43.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 172' ' ' LEU . 26.3 tp -166.42 120.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.066 179.728 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.51 HG22 HD11 ' A' ' 91' ' ' LEU . 3.3 p -100.98 143.68 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.978 -178.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.529 HG21 ' HB ' ' A' ' 168' ' ' VAL . 87.7 t -143.47 146.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.97 130.08 9.85 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.245 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -94.57 -174.32 3.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.689 0.28 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 57.24 16.98 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.395 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.2 m -59.06 -14.69 10.56 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.312 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.44 3.92 5.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.974 0.416 . . . . 0.0 110.725 179.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.3 mt -128.08 54.56 1.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.748 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.0 -11.26 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.57 -21.1 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.275 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -128.25 18.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.694 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.5 ttm180 -62.02 108.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -74.73 -33.54 62.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.684 -179.295 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 63.0 t -96.89 106.95 34.24 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.383 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.76 132.63 52.91 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.293 1.995 . . . . 0.0 111.791 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -57.38 -39.82 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -64.29 -40.32 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.19 -28.2 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.16 -52.87 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.786 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 74.5 mtt180 -54.6 -45.68 73.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.33 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -56.93 -31.55 65.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.99 0.424 . . . . 0.0 110.498 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.491 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -75.03 -48.37 24.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 179.614 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.423 ' HB3' HG22 ' A' ' 152' ' ' VAL . . . -54.42 -43.35 71.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.475 -179.341 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.28 -32.62 56.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.266 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.4 -47.94 62.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -72.63 -21.4 61.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.73 26.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.963 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 147' ' ' ALA . 27.3 m -112.7 173.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.117 0.484 . . . . 0.0 111.198 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -116.46 130.31 56.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.665 178.884 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.488 ' HD1' HG23 ' A' ' 125' ' ' VAL . 21.9 t80 -94.84 135.55 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.025 0.441 . . . . 0.0 111.177 -179.39 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.27 146.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -89.66 133.66 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.195 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 33.3 p -143.22 148.32 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.002 0.43 . . . . 0.0 111.45 -179.303 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 29.7 p -123.5 107.82 11.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.775 179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.58 -13.74 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -70.19 -40.1 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.344 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 69.8 p -99.85 -13.01 19.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.552 HH11 ' HA ' ' A' ' 38' ' ' GLU . 5.8 mtm180 50.56 34.26 9.29 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.52 -55.8 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -110.95 14.02 22.06 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.079 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 168' ' ' VAL . 7.6 p -66.01 -41.65 90.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.383 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.34 -19.93 60.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.614 178.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.36 -36.66 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.214 -178.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.565 HG23 HD11 ' A' ' 90' ' ' LEU . 13.0 p -71.2 -34.12 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.553 -179.088 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.422 ' N ' HG12 ' A' ' 168' ' ' VAL . 57.5 m-85 -70.72 -41.87 71.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.53 -36.76 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.462 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.51 -53.89 12.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.174 -179.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.403 ' HB2' HD22 ' A' ' 124' ' ' LEU . 69.9 tp -58.77 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.23 -179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.411 ' SD ' HD21 ' A' ' 57' ' ' LEU . 41.8 ttm -57.32 -47.87 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.308 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.22 -37.32 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.4 -39.3 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.713 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 57.4 mt -62.7 -35.42 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 181' ' ' MET . 43.6 mtm180 -75.84 -47.54 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 68.6 m -87.44 -59.2 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.9 -54.06 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -60.28 -56.3 23.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.734 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.4 mmt -62.16 -18.64 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t -59.84 -58.88 6.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 59.78 173.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.375 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -73.62 136.05 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.647 ' HB3' ' HZ1' ' A' ' 185' ' ' LYS . 9.0 mtpm? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.424 ' H2 ' ' H ' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.609 ' H3 ' HD22 ' A' ' 12' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.426 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -95.25 160.39 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 tp -124.62 107.68 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -108.55 145.84 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.9 mttt -118.89 137.17 53.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.35 . . . . 0.0 111.335 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.28 132.92 67.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.107 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -113.54 111.57 36.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.559 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 3.5 mmt -63.8 97.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.28 157.17 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 175.5 -164.41 34.74 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.387 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 t -59.58 -32.57 70.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.788 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.87 -17.41 1.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.808 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.494 ' C ' ' H ' ' A' ' 26' ' ' GLY . . . -148.47 -109.95 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 179.711 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.2 t 70.04 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.459 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 109.3 37.67 1.92 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.646 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 8.9 ptpp? -57.32 -30.2 64.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.513 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.3 p -69.45 -29.46 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.974 179.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.16 -52.57 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.737 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.53 -25.12 65.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.54 HG23 HG23 ' A' ' 66' ' ' ILE . 44.8 m -70.49 -39.79 73.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.362 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.56 -44.68 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.608 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 9.8 mm100 -58.26 -38.12 76.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 111.281 -179.346 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -73.13 -25.89 61.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.602 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.3 tpp -82.45 -50.12 9.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -123.09 -7.5 8.31 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.2 t70 59.48 59.86 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.086 0.47 . . . . 0.0 110.356 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HA ' HH11 ' A' ' 162' ' ' ARG . 34.6 tt0 -162.5 127.38 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.978 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -90.91 111.83 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.47 149.73 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.98 96.14 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -161.53 126.4 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -137.9 148.94 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -141.7 130.52 12.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.01 147.88 71.96 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.7 m -130.08 127.75 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -119.14 -34.01 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.1 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.407 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.98 134.95 35.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -127.67 174.34 9.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -113.7 155.79 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -140.45 152.42 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -164.51 170.25 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.659 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -119.15 133.3 55.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.308 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG23 ' HE3' ' A' ' 173' ' ' MET . 25.8 m -143.56 141.33 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.939 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.547 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.3 p -92.34 137.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.005 0.431 . . . . 0.0 111.44 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.33 103.08 8.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 43.54 31.17 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.802 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.03 -48.11 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.054 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -87.59 117.01 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 111.502 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.547 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.1 tt0 -86.13 122.98 30.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 13' ' ' ALA . 33.6 m -130.14 139.51 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -83.96 161.63 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.219 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.8 tt -139.22 144.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.1 t70 -120.52 118.91 31.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.54 HG23 HG23 ' A' ' 31' ' ' THR . 47.9 mt -103.6 124.05 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.094 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -99.86 118.9 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.2 110.0 14.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.3 p -101.13 178.76 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.64 -163.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.12 92.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.166 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.565 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 88.8 mt -75.79 6.35 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.247 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.64 -10.91 59.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -83.66 -21.69 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 44.5 m-85 -99.84 130.03 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.8 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.54 -5.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.394 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 29.2 mt -73.13 -20.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 40.0 ptt180 -64.15 -34.19 77.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.282 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.0 -30.83 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.981 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.2 -38.15 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.528 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.53 -46.41 76.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -179.36 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' HB2' HG12 ' A' ' 114' ' ' VAL . 37.9 m-85 -61.98 -38.27 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -74.31 -11.02 60.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -94.08 9.46 37.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 -175.77 14.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.627 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -122.26 -32.92 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.7 169.68 13.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.46 141.43 47.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.69 105.78 8.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 104' ' ' THR . 8.4 tp -81.76 128.42 33.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.335 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 t -133.86 128.34 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.031 -179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.0 p90 -144.32 153.41 41.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.593 178.666 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 t -94.6 150.0 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.387 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.41 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 24.4 pt -74.68 -37.46 43.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.9 p -66.84 -26.46 66.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -104.53 89.52 3.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.74 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.94 -16.64 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.46 -26.41 60.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.9 m -70.1 -53.52 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.565 -179.241 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -51.64 -38.97 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 0.0 111.736 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.6 p -72.73 -53.85 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.289 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.07 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.551 -179.278 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.605 ' HB ' HD13 ' A' ' 91' ' ' LEU . 13.5 p -55.18 -31.5 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.92 78.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -36.27 79.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.703 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -70.05 -25.72 63.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -48.98 -54.56 15.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.86 -34.55 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -65.19 -24.54 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.2 mt -66.06 -47.28 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.242 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.04 -27.36 66.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.9 mmp_? -63.07 -49.59 73.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 83' ' ' PHE . 3.3 m -69.28 -12.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.454 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -123.61 43.27 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.19 -15.26 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.276 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.96 -25.2 16.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.03 163.41 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -115.55 -17.0 11.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -143.19 105.34 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.26 113.65 64.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.443 ' HG3' HG12 ' A' ' 176' ' ' ILE . 46.2 Cg_endo -67.74 123.44 10.74 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.29 1.993 . . . . 0.0 112.155 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -128.01 157.0 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 tp -159.46 124.36 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 179.553 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.488 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.5 p -104.59 143.94 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.956 0.408 . . . . 0.0 111.756 -178.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -143.52 154.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.083 179.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.05 105.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.84 179.443 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.59 -171.14 3.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.693 0.282 . . . . 0.0 110.402 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 129' ' ' LYS . 10.2 tptm 62.69 15.46 8.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.639 -179.723 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.9 m -63.82 -8.49 10.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.61 -9.75 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.464 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 24.1 mt -116.89 87.67 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.968 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.15 -28.16 62.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.93 -6.47 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.334 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 97.1 mtt180 -117.92 14.92 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.25 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.41 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.0 ttm180 -82.66 110.47 17.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.51 -34.05 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.97 108.27 57.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.75 135.9 69.32 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.141 1.894 . . . . 0.0 111.318 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -50.06 -42.71 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.396 -179.456 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.35 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.357 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.67 -36.42 71.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.0 mtt180 -66.62 -44.11 82.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.111 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -58.8 -39.45 81.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.536 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.405 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -76.57 -42.24 43.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.016 -179.5 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.64 80.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.999 -179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -53.9 -32.3 52.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.888 -179.176 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -52.23 -38.18 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 111.179 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.405 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 20.3 m0 -78.74 -18.44 54.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.99 21.44 11.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.123 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.47 177.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.028 0.442 . . . . 0.0 111.456 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -120.92 130.09 53.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.788 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.488 ' HD1' HG22 ' A' ' 125' ' ' VAL . 25.4 t80 -95.25 141.19 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.326 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.35 154.05 29.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.222 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -89.93 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.2 p -151.23 170.03 20.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.487 -179.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -148.64 113.95 5.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.671 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.33 -3.11 12.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -91.95 -37.77 12.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 80.7 p -94.87 -19.04 20.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.434 HH11 ' HA ' ' A' ' 38' ' ' GLU . 7.6 mtm180 50.56 32.13 6.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.349 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.97 -56.26 4.63 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.81 21.75 15.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 168' ' ' VAL . 2.9 p -66.52 -43.14 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.76 -14.71 61.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -58.94 -39.21 80.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.673 -179.237 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 35.6 m -75.63 -26.83 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.207 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -73.95 -47.38 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.217 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.59 -44.91 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.308 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.78 -52.37 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.014 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.93 -34.67 73.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.448 ' HE3' HG23 ' A' ' 55' ' ' VAL . 50.4 ttm -58.61 -47.24 84.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.5 -34.03 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.21 -36.28 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.443 HG12 ' HG3' ' A' ' 122' ' ' PRO . 67.6 mt -69.71 -52.6 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' A' ' 181' ' ' MET . 52.2 mtp180 -55.86 -38.03 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.015 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 81.5 m -87.09 -58.57 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -69.7 -53.5 18.23 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.36 -35.17 79.5 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.205 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -81.98 -12.72 58.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.228 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.0 p -86.59 -60.87 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.702 0.287 . . . . 0.0 111.014 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 52.05 86.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -147.14 120.42 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.091 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.55 129.88 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.4 108.56 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.7 114.58 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -93.89 141.17 28.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.13 139.22 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.2 mm -113.19 130.8 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.505 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -82.49 96.23 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.681 179.479 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 91' ' ' LEU . 8.6 p -101.13 157.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 179.43 -167.01 36.75 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.724 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 p -61.08 -46.42 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.07 18.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.479 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.23 65.5 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 93' ' ' PHE . 13.6 t -126.14 -40.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.699 0.285 . . . . 0.0 111.297 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.32 38.16 0.23 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 7.7 mtmp? -59.8 -36.03 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -71.82 -30.09 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.203 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.33 -52.89 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.895 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 97.2 m -68.53 -46.44 69.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.277 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.04 -32.44 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.664 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.7 mm100 -61.82 -34.96 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -72.99 -27.87 62.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.553 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 tpp -82.6 -49.48 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -108.23 -10.45 15.38 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -177.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.465 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.37 28.2 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -143.28 152.09 41.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.999 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -94.64 120.91 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG11 ' H ' ' A' ' 42' ' ' ASP . 20.1 t -126.89 148.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.011 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.6 9.1 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.522 ' H ' HG11 ' A' ' 40' ' ' VAL . 7.9 m-20 -101.66 148.94 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -141.71 165.59 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.79 128.02 15.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.87 156.97 21.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.334 2.023 . . . . 0.0 112.154 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.411 HG21 ' H ' ' A' ' 69' ' ' THR . 91.7 m -131.47 114.27 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' ' HZ2' ' A' ' 47' ' ' LYS . 6.3 ttpm? -117.01 -40.75 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.746 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.26 0.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 132.96 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.473 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -122.2 172.8 8.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -115.5 154.56 29.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -135.73 137.79 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.41 . . . . 0.0 110.934 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -147.74 154.37 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.476 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 36.5 mtmm -118.68 120.84 38.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.73 147.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.003 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -81.66 143.82 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.509 HD22 HH11 ' A' ' 177' ' ' ARG . 61.2 tp -135.34 104.56 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.22 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 53.89 31.08 12.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.17 -42.13 2.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.602 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -91.25 118.15 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.8 tt0 -85.63 131.43 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.66 148.45 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.032 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.476 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.8 mt-30 -81.26 138.64 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -118.89 137.94 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.366 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.2 123.37 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.678 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 HG21 HG22 ' A' ' 31' ' ' THR . 58.3 mt -110.2 141.99 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.5 OUTLIER -129.28 114.28 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.126 179.705 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -54.41 -53.38 54.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.994 -179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.411 ' H ' HG21 ' A' ' 46' ' ' THR . 23.1 m 75.03 -38.6 0.38 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.916 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.89 -174.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.62 119.81 15.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.059 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.597 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 4.5 mp -90.12 16.74 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.11 5.74 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -107.57 -14.57 14.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 36.2 m-85 -100.12 138.93 36.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.814 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.13 -53.24 8.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.443 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.37 -8.01 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.468 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 33.9 mt -64.16 -16.69 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.597 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 66.3 mtm180 -53.78 -48.39 69.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.91 -31.76 60.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.92 -44.97 94.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.78 -49.95 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 -179.753 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -62.91 -23.25 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' HB2' HG11 ' A' ' 114' ' ' VAL . 54.4 ttp180 -84.24 -28.77 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -55.51 -38.47 69.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -110.58 159.0 14.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.657 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -96.75 -14.48 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.22 158.05 15.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.683 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -136.14 134.31 38.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 124' ' ' LEU . 18.7 mt -129.12 102.18 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -84.11 123.17 29.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.567 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -129.03 137.54 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 111.625 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.492 ' HA ' HG21 ' A' ' 25' ' ' VAL . 8.4 p90 -146.65 152.69 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.391 178.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' OG ' HG11 ' A' ' 25' ' ' VAL . 73.7 m -87.55 135.19 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.303 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.12 -36.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.706 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.0 t -71.18 -22.94 61.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG3' HG23 ' A' ' 96' ' ' THR . 46.6 mt-10 -108.3 93.05 4.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.36 -16.23 53.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.071 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.13 -26.89 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.362 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -70.71 -51.98 23.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.337 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.53 -39.21 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.4 -53.64 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.891 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.13 76.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD12 ' A' ' 91' ' ' LEU . 11.8 p -60.62 -31.71 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.15 0.5 . . . . 0.0 110.462 179.385 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.2 79.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.08 -42.9 99.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.61 -27.63 69.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -55.24 -43.19 74.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.713 179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.66 -30.12 66.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.023 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.81 -25.95 62.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.4 mt -58.2 -38.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.326 -179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.48 -26.15 65.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -51.7 -51.22 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.569 HG21 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -62.91 -38.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.029 0.443 . . . . 0.0 110.465 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' HG2' HG21 ' A' ' 114' ' ' VAL . 25.4 mmtp -99.76 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.42 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.91 -37.6 6.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.504 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.13 -44.35 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.123 0.487 . . . . 0.0 109.794 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 60.04 111.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.068 179.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.496 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 12.0 m-20 -149.58 -68.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.691 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.609 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 2.9 mptp? -136.92 82.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.491 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.7 mp -86.08 114.4 57.02 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.073 -179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.49 119.5 6.54 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.355 2.037 . . . . 0.0 111.811 179.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.2 tp -143.23 161.38 38.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.422 ' HB3' HD22 ' A' ' 90' ' ' LEU . 59.9 tp -168.85 127.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.503 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -98.7 142.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.086 0.47 . . . . 0.0 111.603 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 168' ' ' VAL . 19.2 t -143.87 139.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.702 179.512 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.74 129.27 9.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.286 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.9 -166.65 1.41 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 132' ' ' LEU . 74.5 mmtt 59.72 21.51 10.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -57.62 -30.69 65.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.83 -21.59 43.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.04 0.448 . . . . 0.0 110.403 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.505 HD13 ' HD2' ' A' ' 135' ' ' ARG . 43.1 mt -93.84 66.38 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.59 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.8 -13.97 62.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.83 -12.63 30.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.505 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.1 mtt180 -107.48 -6.68 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -60.91 108.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.689 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.57 -17.73 15.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.82 100.64 13.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -57.66 139.29 89.76 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.198 1.932 . . . . 0.0 111.696 179.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.471 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 89.0 t -53.93 -47.89 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.617 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.48 -42.02 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.703 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -74.96 -31.21 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.695 0.283 . . . . 0.0 111.325 -179.586 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.35 -31.06 60.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.452 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 42.5 mtt180 -77.57 -33.68 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -66.23 -53.6 35.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.262 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.61 99.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.33 77.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.586 -179.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.32 -32.74 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.0 -41.52 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -69.26 -29.2 67.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.8 32.25 2.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.8 177.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.654 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -120.82 137.8 54.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.95 179.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.503 ' HD1' HG23 ' A' ' 125' ' ' VAL . 42.4 t80 -102.52 138.68 39.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.921 0.391 . . . . 0.0 111.363 -179.494 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.597 HG21 ' HZ2' ' A' ' 167' ' ' LYS . 4.7 p -135.67 154.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.56 -179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.1 135.73 33.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.235 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.501 HG21 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -149.48 162.37 40.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 111.542 -179.414 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -133.08 110.44 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.497 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.4 -3.55 6.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.66 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.27 -43.14 12.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.8 p -98.84 0.43 44.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.332 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? 33.5 47.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.195 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.2 -55.81 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.979 -179.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.501 ' HB2' HG21 ' A' ' 157' ' ' THR . 2.7 m-20 -112.04 6.89 19.55 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.439 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.485 ' O ' HG22 ' A' ' 168' ' ' VAL . 14.7 p -57.63 -41.31 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.86 -14.91 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.597 ' HZ2' HG21 ' A' ' 155' ' ' VAL . 1.0 OUTLIER -79.4 -31.28 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.881 -179.05 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 126' ' ' VAL . 3.9 m -71.13 -28.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.481 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -74.34 -43.39 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.79 -34.3 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.87 -45.58 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 175' ' ' GLU . 44.9 tp -72.77 -42.39 64.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 23.5 ttp -54.22 -36.44 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.73 -36.17 75.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.557 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -78.27 -25.15 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.37 -179.412 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.7 mt -65.1 -50.33 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.27 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.509 HH11 HD22 ' A' ' 57' ' ' LEU . 9.5 ptm180 -73.98 -24.05 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.6 m -88.35 -60.19 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -71.11 -54.42 11.17 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.9 tmtm? -61.54 -51.88 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.131 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.492 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -64.03 -13.92 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.498 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t -71.32 -60.37 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.284 . . . . 0.0 111.092 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.609 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.3 mt-10 60.22 -178.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.006 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -96.39 -30.56 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.931 -179.95 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.594 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.49 174.3 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -134.86 123.21 23.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' HB3' HD11 ' A' ' 176' ' ' ILE . 34.5 m-70 -116.69 112.53 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -83.74 145.76 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.3 t -127.31 120.19 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.36 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.573 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.8 mm -99.07 108.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.963 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.558 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.1 tpt -70.98 92.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.0 p -104.32 159.49 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.323 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA2' HG21 ' A' ' 104' ' ' THR . . . 179.92 -164.12 31.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.549 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' HG21 ' A' ' 25' ' ' VAL . 17.8 t -59.68 -31.29 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.072 -179.779 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.88 22.75 5.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.348 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.39 39.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.23 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG21 ' HB3' ' A' ' 22' ' ' SER . 75.4 t -100.73 -45.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.333 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.63 38.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.181 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.558 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.9 mttt -53.45 -36.27 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -67.71 -30.41 69.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -52.07 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.019 -178.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.544 HD23 HG13 ' A' ' 92' ' ' VAL . 2.3 mm? -62.56 -24.55 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.398 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.1 m -72.43 -48.12 43.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.773 -179.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.3 -33.5 69.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.81 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.487 ' HB2' HG23 ' A' ' 165' ' ' VAL . 28.3 mm-40 -65.35 -32.69 74.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.983 0.42 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -73.49 -40.8 63.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.933 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.5 ttm -82.31 -49.75 9.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -99.86 -26.51 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.132 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.2 m-20 58.88 40.57 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.094 0.473 . . . . 0.0 110.021 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -144.79 128.3 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.957 -179.388 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -83.73 105.9 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.63 139.41 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -74.11 98.61 3.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.54 178.03 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -164.44 151.03 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.766 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.49 99.61 4.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.22 149.82 11.74 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.654 2.236 . . . . 0.0 112.686 -179.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 68' ' ' ASP . 84.9 m -92.34 123.21 35.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.62 -69.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.034 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.74 6.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.295 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.56 136.44 32.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -114.57 157.47 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.763 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -101.47 152.68 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -144.06 132.84 22.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -149.29 144.57 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -95.8 116.3 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 HG23 ' HE2' ' A' ' 173' ' ' MET . 16.8 m -131.59 153.88 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.841 179.684 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.532 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.5 p -103.54 145.04 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.267 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.4 tp -150.2 123.62 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.2 30.89 17.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.587 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -29.3 5.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.445 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.16 115.75 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -74.23 117.09 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.46 143.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.39 159.11 24.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.185 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -130.58 137.86 55.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 13.7 t70 -137.53 113.56 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.159 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 82.7 mt -101.04 129.61 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.55 179.668 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -133.84 137.88 45.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.512 ' HA ' HG23 ' A' ' 46' ' ' THR . 16.1 t70 68.42 129.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.278 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 9.8 t -154.38 -8.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 152.62 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 117.83 4.55 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.431 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 79' ' ' ARG . 95.3 mt -75.6 -72.69 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.601 0.239 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 58.81 16.42 4.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 111.041 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -137.76 -168.13 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 61.99 176.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.2 -53.71 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.02 32.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.51 -24.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.484 ' HB3' HD11 ' A' ' 72' ' ' LEU . 27.9 ptt180 -52.84 -36.09 58.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.42 -39.38 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.776 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -53.28 -35.32 59.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.206 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -67.52 -20.77 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.12 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -70.53 0.09 7.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.573 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -114.6 167.65 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.413 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -119.67 -49.11 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.56 159.35 28.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.404 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.72 129.0 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.423 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.4 mt -123.41 103.23 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD12 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -82.87 128.4 34.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.225 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.544 HG13 HD23 ' A' ' 30' ' ' LEU . 61.1 t -131.16 140.36 48.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.995 -179.556 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.573 ' HB3' HG22 ' A' ' 104' ' ' THR . 22.8 p90 -151.46 145.09 24.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.453 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' HG13 ' A' ' 25' ' ' VAL . 36.9 m -82.71 144.83 29.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.011 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.464 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 43.2 pt -76.02 -35.94 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.689 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 34.9 p -68.92 -12.23 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.829 179.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.48 98.39 6.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.98 -18.08 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.42 -26.5 60.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.142 0.496 . . . . 0.0 110.435 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.3 m -67.96 -54.05 21.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.858 -179.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -59.34 -35.26 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.549 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.5 p -71.84 -53.42 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.776 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.88 85.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.573 HG22 ' HB3' ' A' ' 93' ' ' PHE . 7.9 p -57.96 -32.55 67.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.6 69.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.92 -45.48 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.609 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -59.48 -24.78 63.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -49.2 -48.39 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -36.17 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.28 -27.32 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.7 -43.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.446 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.58 -25.82 65.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.914 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -50.72 -50.99 54.01 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' A' ' 115' ' ' LYS . 6.6 m -69.53 -47.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.89 -179.292 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.496 ' HG2' HG22 ' A' ' 114' ' ' VAL . 73.7 mmtt -87.38 33.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.788 0.328 . . . . 0.0 111.072 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.83 57.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -96.62 -16.76 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -93.96 175.3 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.52 -48.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -82.78 120.57 25.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.5 mm -123.81 104.12 33.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 36.7 Cg_endo -65.38 105.94 0.79 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.166 1.911 . . . . 0.0 111.872 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 54.6 tp -127.64 159.86 33.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 -179.706 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.426 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 55.5 tp -167.92 124.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 154' ' ' TYR . 1.9 p -92.45 143.0 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 0.0 111.176 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.525 HG13 HG11 ' A' ' 168' ' ' VAL . 15.9 t -136.13 114.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.73 8.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.104 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -102.08 -176.31 3.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.704 0.288 . . . . 0.0 110.392 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.512 ' HZ2' HD11 ' A' ' 132' ' ' LEU . 3.2 mmmp? 55.54 21.21 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 63.6 m -66.26 -6.19 13.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.77 1.21 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.498 179.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.512 HD11 ' HZ2' ' A' ' 129' ' ' LYS . 50.1 mt -128.1 51.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.61 -12.48 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.35 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.97 -31.66 56.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.03 24.54 10.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.341 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.464 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -59.89 109.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -72.75 -31.46 64.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.444 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.74 99.54 22.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 131.96 48.79 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.163 1.909 . . . . 0.0 111.462 179.218 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.1 p -49.47 -46.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.486 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.453 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.6 mt-10 -54.41 -44.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.386 -179.363 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.78 -39.68 91.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.84 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 57.6 mtm180 -73.08 -37.73 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.685 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 40.8 t -66.11 -40.4 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.484 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.437 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -74.96 -46.91 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.043 -179.679 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.77 -42.43 98.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.689 -179.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.63 -31.94 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 145' ' ' SER . 9.5 mm-40 -52.84 -45.47 67.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.553 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.437 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 12.4 m0 -66.91 -16.23 64.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 96.49 30.74 7.51 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.04 -176.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.379 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.63 128.6 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.468 ' HA ' HG13 ' A' ' 125' ' ' VAL . 26.2 t80 -96.09 134.84 38.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.16 153.32 37.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.41 138.49 31.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.6 p -145.27 152.84 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.576 -179.354 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.412 ' C ' ' H ' ' A' ' 160' ' ' LYS . 50.3 m -122.22 110.19 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 179.29 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -0.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.775 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 158' ' ' SER . 87.5 tttt -99.69 -49.83 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.755 179.555 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.4 p -87.35 -3.74 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.402 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? 35.13 44.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.906 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.6 -55.84 5.02 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.55 15.78 22.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.2 p -68.55 -44.77 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -73.81 -15.43 61.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.337 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -75.17 -32.01 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.525 HG11 HG13 ' A' ' 126' ' ' VAL . 33.2 m -79.04 -26.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.207 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -71.43 -47.67 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.781 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.86 -29.7 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.38 -47.78 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.3 tp -71.69 -32.72 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.472 ' HE2' HG23 ' A' ' 55' ' ' VAL . 53.3 ttm -55.02 -39.09 68.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -68.7 -37.24 79.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.872 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.17 -27.15 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.448 HD11 ' HB3' ' A' ' 15' ' ' HIS . 95.0 mt -68.51 -54.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.819 0.342 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.436 ' HA ' ' HE2' ' A' ' 181' ' ' MET . 13.6 ptm180 -70.15 -27.7 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.7 m -89.42 -60.54 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -71.17 -54.45 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -59.07 -45.64 90.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.623 0.249 . . . . 0.0 111.669 -178.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 177' ' ' ARG . 43.3 mtt -64.32 -12.2 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.173 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 70.1 m -71.04 -60.56 2.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 57.21 29.33 16.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 62.28 176.18 0.13 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.026 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.968 -179.683 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.423 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.14 151.92 19.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -179.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -124.36 110.0 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.739 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.64 138.08 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.9 mttp -119.38 123.12 43.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -104.73 138.3 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 179.599 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -101.91 113.98 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.071 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 tpt -74.96 86.16 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.7 p -95.27 160.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 111.056 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.21 -171.44 43.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.374 -179.833 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 t -55.05 -44.22 74.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.753 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.06 -15.35 1.52 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.253 -179.805 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.34 68.58 0.13 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -117.93 -14.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 0.0 111.371 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.6 41.7 0.48 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HZ3' HG22 ' A' ' 69' ' ' THR . 51.6 mtmt -62.82 -52.38 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.81 179.858 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.479 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.3 p -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.297 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.449 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.24 -52.97 56.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.19 -25.06 66.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.479 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.0 m -70.28 -44.2 68.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.263 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.37 -39.6 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.506 HE21 ' HB3' ' A' ' 162' ' ' ARG . 13.9 mm100 -56.27 -38.33 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -72.72 -25.41 61.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.293 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.1 tpp -81.88 -49.63 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.311 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.0 -7.68 10.35 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -177.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.5 t70 59.84 33.42 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 110.406 -179.689 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.46 131.95 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.84 110.13 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG12 ' H ' ' A' ' 42' ' ' ASP . 44.9 t -108.73 139.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.23 -32.24 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.442 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.8 t70 -62.45 106.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -80.89 173.67 12.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -146.33 103.73 4.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 154.79 19.44 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.362 2.041 . . . . 0.0 112.041 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 69' ' ' THR . 44.9 m -94.87 137.45 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.278 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.8 -61.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.509 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.02 -22.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -74.5 132.83 42.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.771 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' OG ' ' HG ' ' A' ' 67' ' ' LEU . 17.1 m -123.68 174.93 7.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 50.1 m-85 -98.47 146.92 25.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -149.92 137.78 20.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -156.23 172.84 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -105.98 124.73 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.89 149.68 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.506 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -95.53 134.77 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.441 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.6 tp -135.67 113.7 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.549 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 54.83 31.32 15.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.16 -32.48 6.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.36 113.76 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.3 tt0 -80.13 124.22 28.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.484 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.36 147.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.87 136.27 34.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -112.66 134.99 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -119.08 120.96 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mt -119.56 128.3 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.375 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' HG ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -100.43 128.62 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 179.511 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.12 -50.04 49.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.518 HG22 ' HZ3' ' A' ' 27' ' ' LYS . 25.4 m 62.6 117.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.632 179.686 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.97 -170.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.19 97.23 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.366 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 89.7 mt -83.73 10.74 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -179.921 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.24 9.19 29.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.041 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -104.3 -32.86 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.495 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 65.2 m-85 -77.47 130.25 36.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.79 97.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.379 -179.828 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.54 -4.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.495 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 29.3 mt -70.13 -18.96 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.486 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 17.4 ptp180 -64.26 -30.77 71.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.74 -31.3 71.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -51.03 -34.73 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.41 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -75.76 -35.37 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.817 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -83.21 -15.86 48.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -80.15 -40.09 28.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.702 0.287 . . . . 0.0 111.235 -179.433 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -90.6 14.01 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.32 158.98 13.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.824 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -107.85 -60.48 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 110.8 179.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -87.81 163.16 33.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.48 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -142.46 124.93 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' HB3' ' A' ' 124' ' ' LEU . 28.6 mt -118.41 102.55 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 179.567 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.581 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.3 tp -83.03 123.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.398 179.641 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.9 t -128.29 137.18 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 111.892 -179.541 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.496 ' HB3' HG21 ' A' ' 104' ' ' THR . 31.7 p90 -144.31 140.55 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.153 178.806 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.508 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 29.4 m -71.0 128.59 36.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.458 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 1.5 pp -63.26 -37.07 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.438 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.451 HG23 ' HG3' ' A' ' 97' ' ' GLU . 8.0 t -74.21 -16.63 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.508 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 43.0 mt-10 -111.81 97.53 6.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.849 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.09 -16.29 59.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.41 -26.93 61.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.3 m -70.21 -45.78 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.099 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.32 -38.1 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -71.83 -53.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.51 -179.443 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.39 80.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.581 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.9 p -56.5 -37.68 70.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.9 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.15 66.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.482 -179.5 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.37 -45.57 75.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.7 -26.09 68.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 44.7 mt-10 -70.53 -39.72 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -57.13 -29.88 63.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.18 -48.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.36 -26.53 66.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 30.7 mmm180 -56.01 -50.29 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.539 HG21 ' HG2' ' A' ' 115' ' ' LYS . 7.8 m -72.94 -24.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.618 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.71 40.21 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.33 -9.8 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -98.16 -26.64 14.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.34 151.85 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -108.6 -32.91 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.5 96.51 10.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.652 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -108.89 104.7 55.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.49 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 37.5 Cg_endo -65.59 107.2 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.454 2.103 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HB3' HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -123.83 152.5 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.126 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.416 ' H ' HD23 ' A' ' 123' ' ' LEU . 53.9 tp -162.09 117.13 1.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.475 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.7 p -91.94 141.11 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.177 0.513 . . . . 0.0 111.576 -179.032 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.504 HG21 HG23 ' A' ' 168' ' ' VAL . 16.9 t -132.15 148.47 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.85 129.08 9.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.27 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -107.79 -178.34 3.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.431 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 30.1 mmmt 57.94 18.21 4.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.0 t -60.42 -15.0 22.16 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.647 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.07 1.64 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 49.7 mt -121.5 67.66 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.86 -24.19 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -80.14 -24.54 40.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.41 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 88.5 mtt180 -101.32 -0.59 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.458 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.8 ttm105 -66.75 109.06 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.35 -26.01 18.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.9 t -102.16 103.72 32.08 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -61.81 130.72 32.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.127 1.885 . . . . 0.0 111.36 179.125 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -48.71 -43.7 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.632 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.3 pt-20 -54.51 -37.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.5 tt0 -75.37 -44.41 45.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.726 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.55 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtt180 -70.87 -32.71 69.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.78 -51.45 55.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.005 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.36 84.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.3 98.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.436 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.62 -32.46 58.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.032 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.38 -48.05 68.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.795 179.571 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.88 -18.67 65.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.14 22.4 9.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.594 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 123' ' ' LEU . 16.9 m -123.03 176.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.301 0.572 . . . . 0.0 112.253 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -119.94 134.16 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.738 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.475 ' HD1' HG21 ' A' ' 125' ' ' VAL . 30.0 t80 -101.51 144.49 30.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 111.544 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.4 151.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.459 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.06 141.45 28.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.485 HG23 ' HB2' ' A' ' 164' ' ' ASN . 25.9 p -152.38 158.43 42.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 111.599 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.0 m -122.43 111.19 16.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.28 -5.76 15.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.341 -179.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.516 ' HB2' ' HZ2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -89.31 -43.61 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.731 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.9 p -92.31 -4.32 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.506 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 34.7 39.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.638 0.586 . . . . 0.0 112.231 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.61 -56.48 4.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.769 -179.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.485 ' HB2' HG23 ' A' ' 157' ' ' THR . 83.5 m-20 -112.68 19.29 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.743 -179.708 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.458 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.4 -47.14 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.304 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -73.68 -14.84 61.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -64.49 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.029 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.504 HG23 HG21 ' A' ' 126' ' ' VAL . 32.1 m -85.51 -27.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.31 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.49 -43.87 79.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.85 -30.05 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.931 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.16 -52.9 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.09 -35.11 76.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.072 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 11.0 ttp -54.66 -38.47 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -68.12 -34.25 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.48 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.992 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.578 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 70.3 mt -64.8 -34.89 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -76.1 -47.81 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.792 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.3 m -87.33 -59.03 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.86 -53.98 26.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -177.244 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.578 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 28.9 tptp -60.82 -46.09 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.647 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -13.26 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.468 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 t -65.05 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 110.631 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.23 98.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -140.6 109.49 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.925 -179.957 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.502 HNB3 ' H2 ' ' A' ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.502 ' H2 ' HNB3 ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.8 155.2 16.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.654 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.46 119.39 31.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.264 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -113.82 106.36 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 90.0 mttt -88.26 124.97 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.478 -179.392 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.19 130.45 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -111.69 120.84 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.328 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.47 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 96.0 mmm -66.94 94.08 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.337 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.8 p -106.47 163.6 4.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.696 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 173.73 -149.64 11.15 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.509 179.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -66.22 -47.04 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.6 -13.84 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.169 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.755 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 93' ' ' PHE . 14.2 m -131.25 -27.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.9 34.94 0.09 OUTLIER Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 45.5 mtmt -58.24 -55.09 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 31' ' ' THR . 96.2 p -61.77 -30.83 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.154 0.502 . . . . 0.0 111.258 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.36 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.603 -179.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.1 -25.06 66.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.241 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.5 m -68.64 -50.16 53.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.75 -29.17 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 18.9 mm-40 -74.09 -28.44 61.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -73.6 -50.4 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.384 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.477 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 46.7 ttm -82.55 -50.29 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.224 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.02 -21.29 18.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 59.11 35.94 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.368 -179.588 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -141.82 128.53 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -73.96 114.24 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.417 HG13 ' H ' ' A' ' 42' ' ' ASP . 47.3 t -129.4 123.7 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.63 -29.65 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' H ' HG13 ' A' ' 40' ' ' VAL . 11.3 m-20 -60.41 148.27 37.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -125.79 168.6 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.63 101.71 11.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.741 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -48.68 152.39 4.32 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.573 2.182 . . . . 0.0 112.484 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.6 m -112.48 143.52 43.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.425 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HZ3' ' HB2' ' A' ' 47' ' ' LYS . 4.2 ttmp? -139.91 -47.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.659 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.76 -11.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -74.3 127.63 33.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -115.99 168.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 34.5 m-85 -114.43 149.05 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.5 179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HD3' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttm180 -150.94 137.95 19.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.55 141.75 17.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -80.13 130.29 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.24 151.6 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.66 138.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.0 tp -139.74 96.64 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 57.94 31.54 20.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -32.12 7.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HG3' HG13 ' A' ' 62' ' ' VAL . 10.6 tp10 -79.15 116.17 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.785 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -85.9 117.42 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.421 HG13 ' HG3' ' A' ' 60' ' ' GLU . 34.0 m -136.16 140.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.753 179.663 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 26.8 mt-30 -89.22 142.87 27.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.01 -179.541 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 tt -112.29 132.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.552 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 19.8 t70 -107.06 113.97 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.8 mt -106.22 145.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.26 105.48 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.24 131.18 49.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -131.0 105.08 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.27 -171.42 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.595 179.565 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 100.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.273 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.53 2.77 5.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.679 0.276 . . . . 0.0 111.186 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 57.99 -158.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.9 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.3 124.29 37.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.556 -179.542 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.6 140.55 24.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 179.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.83 53.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.418 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.53 11.92 0.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.409 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.27 -45.5 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -70.89 -31.24 67.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.8 -31.14 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -50.1 -40.71 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -61.27 -35.73 78.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.4 m-85 -75.29 -19.99 59.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.074 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -83.76 -38.94 20.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.5 p -62.7 -22.13 66.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.53 167.93 24.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.342 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.53 -48.56 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.81 164.71 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.259 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.1 148.02 52.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -132.0 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.619 HD22 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.0 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.054 -179.267 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG11 HG11 ' A' ' 126' ' ' VAL . 23.1 t -134.88 136.62 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.112 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.583 ' HB3' HG22 ' A' ' 104' ' ' THR . 7.7 p90 -144.13 157.03 44.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.175 178.087 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -97.43 146.38 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.9 pt -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.361 179.59 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.443 HG23 HD12 ' A' ' 132' ' ' LEU . 75.5 p -72.61 -20.35 61.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.855 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.47 96.4 5.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.87 -16.24 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.612 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.28 -26.45 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.679 -179.331 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -68.3 -44.44 75.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.065 -179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -56.2 -37.78 70.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.443 -179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -72.69 -54.35 9.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.65 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -59.21 -35.13 73.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.619 ' HB ' HD22 ' A' ' 91' ' ' LEU . 4.8 p -60.2 -38.08 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.468 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.41 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.891 178.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 10.1 tp10 -65.62 -32.39 73.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.43 179.374 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.03 -24.74 43.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.671 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -49.11 -42.38 39.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.48 -33.14 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.5 -179.735 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -72.37 -27.35 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.56 -43.25 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.493 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.42 -26.08 66.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.805 -179.553 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -54.64 -50.68 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.716 0.293 . . . . 0.0 111.627 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 83' ' ' PHE . 5.5 m -67.93 -11.94 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.741 -179.594 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 75.3 mmtt -125.98 68.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.806 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.58 -26.73 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.768 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.4 4.57 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 44.4 tt0 -120.91 139.72 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.776 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.31 -4.95 18.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.182 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 75.3 mmtt -120.7 95.82 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.217 -179.76 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -109.6 109.66 59.79 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.04 124.97 17.51 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.234 1.956 . . . . 0.0 112.072 179.691 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 44.1 tp -138.37 156.02 48.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.05 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.5 tp -163.27 129.89 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.279 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 154' ' ' TYR . 3.2 p -106.0 143.89 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.51 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.452 HG11 HG11 ' A' ' 92' ' ' VAL . 9.8 p -148.57 154.99 9.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.223 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -121.01 106.51 1.14 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.017 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -81.67 -169.73 2.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -179.413 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 59.24 18.62 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.2 t -63.34 -10.84 18.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.48 -14.32 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.089 0.471 . . . . 0.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.505 HD11 ' HD3' ' A' ' 135' ' ' ARG . 22.2 mt -114.09 86.84 2.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.57 179.685 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.487 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.0 mt-10 -72.68 -24.45 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.176 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.43 -35.52 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.505 ' HD3' HD11 ' A' ' 132' ' ' LEU . 38.8 mtp180 -87.89 15.94 6.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.487 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.0 ttm180 -87.55 109.23 19.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.393 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -90.75 -28.51 18.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.418 -179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.28 110.26 45.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.414 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.54 142.45 90.14 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.193 1.929 . . . . 0.0 111.534 179.243 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 12.6 p -59.26 -38.01 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.52 -43.56 89.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.435 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.92 -45.26 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.369 -179.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.61 79.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.8 mtt180 -60.5 -44.73 95.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.77 -179.665 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -56.17 -39.93 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.583 -179.442 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -48.52 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.565 -179.276 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.78 -28.6 69.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.714 -179.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.33 -27.38 55.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 179.422 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -81.34 -15.49 55.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.56 24.78 15.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.961 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.87 177.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.127 0.489 . . . . 0.0 111.454 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.78 132.23 54.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.127 179.549 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HB2' HG13 ' A' ' 125' ' ' VAL . 47.0 t80 -96.47 141.98 29.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.158 0.504 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 152.13 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.851 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.19 138.85 31.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.1 p -146.47 160.44 42.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.438 -179.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.2 p -125.19 109.01 12.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.752 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.11 6.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.589 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -97.63 -52.76 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.627 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 30.3 p -86.83 5.05 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.15 37.42 0.05 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.93 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.73 -179.589 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.8 m-20 -112.26 23.86 13.2 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -68.29 -39.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.707 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . 0.408 ' HA ' ' HD2' ' A' ' 169' ' ' PHE . 6.7 p-10 -73.97 -14.91 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.144 179.551 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 48.1 tptt -56.65 -37.88 71.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.967 -179.304 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 165' ' ' VAL . 21.2 m -75.98 -30.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.868 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . 0.408 ' HD2' ' HA ' ' A' ' 166' ' ' ASP . 98.8 m-85 -74.39 -45.62 45.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -72.16 -44.24 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.58 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.2 -53.78 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.699 0.285 . . . . 0.0 110.985 -179.783 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.5 tp -61.75 -33.4 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.3 ttm -54.44 -42.64 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -68.7 -35.03 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -70.52 -26.4 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 172' ' ' LEU . 97.3 mt -72.25 -49.72 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.306 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.9 ptm180 -73.38 -24.68 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.547 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -88.46 -60.05 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -71.59 -54.45 10.4 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.375 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -53.73 53.82 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -60.86 -17.23 49.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.609 0.243 . . . . 0.0 111.581 -179.085 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 39.9 t -69.13 -50.14 50.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.24 21.0 7.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 47.5 t30 58.37 93.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.097 179.961 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.421 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.597 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 -176.16 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD11 ' HZ1' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -134.11 97.43 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.617 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.53 120.17 40.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HZ1' HD11 ' A' ' 14' ' ' LEU . 50.2 mttp -104.27 137.09 42.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -117.97 125.87 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.25 115.4 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mmt -67.52 97.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 21' ' ' GLY . 9.9 p -106.6 167.07 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.32 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' H ' HG22 ' A' ' 20' ' ' VAL . . . 151.27 -148.42 19.48 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.911 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -56.35 -63.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.958 0.408 . . . . 0.0 111.082 -179.511 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.77 37.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.381 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 84.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.07 -34.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.93 35.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' H ' ' A' ' 28' ' ' SER . 15.6 ptpt -65.94 -56.51 11.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.204 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.526 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.6 p -54.91 -30.05 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.18 0.514 . . . . 0.0 110.864 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.87 -52.8 61.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.701 -179.416 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.96 -25.17 67.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.437 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.526 ' HB ' ' O ' ' A' ' 28' ' ' SER . 88.7 m -65.8 -47.92 73.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.21 -179.664 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.02 -36.41 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.039 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' HB2' HG23 ' A' ' 165' ' ' VAL . 14.1 mm100 -60.08 -39.13 85.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -72.28 -25.02 61.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.559 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.1 tpp -81.43 -49.42 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.158 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -119.93 -1.7 10.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.3 m-20 56.94 38.24 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.895 -179.717 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -148.91 143.57 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.19 106.66 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.59 141.18 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.66 133.4 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.96 -61.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 58.67 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -112.63 144.97 32.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.52 158.01 47.91 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.509 2.14 . . . . 0.0 112.15 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -127.46 122.55 33.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -149.89 -44.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.41 -16.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.74 125.6 29.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.461 ' HB3' HD13 ' A' ' 67' ' ' LEU . 65.2 p -126.93 176.79 7.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -102.63 163.12 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -151.18 157.3 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.431 -179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.59 125.93 47.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 111.354 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.52 137.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.649 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.85 144.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -138.08 97.7 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 55.26 30.79 15.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.72 29.45 8.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.747 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.61 113.14 4.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.72 115.19 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 169.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -106.53 118.77 37.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.515 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.6 tt -105.43 132.51 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.455 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.1 t70 -118.46 116.68 27.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.511 HG23 HG21 ' A' ' 31' ' ' THR . 57.2 mt -108.69 137.3 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 50' ' ' SER . 40.1 tp -139.13 105.26 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.5 116.59 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.822 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.1 p -84.61 -26.91 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.449 -179.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.6 -168.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.02 111.55 3.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.335 179.743 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD22 ' HG2' ' A' ' 79' ' ' ARG . 6.9 mp -73.62 -39.14 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.588 0.232 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 64.97 -80.28 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.11 -159.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.282 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.472 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 58.6 m-85 66.94 129.79 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.304 179.897 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -53.81 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.599 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.06 10.99 2.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 46.7 mm -61.68 -17.78 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.44 179.496 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.547 ' HG2' HD22 ' A' ' 72' ' ' LEU . 65.0 mtm180 -60.35 -38.24 83.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 179.648 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.17 -32.8 64.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.422 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -52.03 -52.99 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -179.598 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -62.71 -42.36 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.664 -179.343 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -62.94 -19.18 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.218 -179.694 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -79.62 -48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.134 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 t -68.55 -7.6 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.82 136.33 12.67 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.04 -7.73 38.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.32 155.75 24.19 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.22 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -132.8 138.4 47.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.3 . . . . 0.0 111.065 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.479 HD23 HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -127.18 109.59 12.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 179.699 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.82 103.83 12.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.461 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.479 HG21 HD23 ' A' ' 90' ' ' LEU . 4.0 t -111.44 137.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.942 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.641 ' HB3' HG22 ' A' ' 104' ' ' THR . 12.1 p90 -153.47 146.4 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 178.517 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -83.07 145.3 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.59 HG12 ' HB3' ' A' ' 129' ' ' LYS . 31.0 pt -76.02 -32.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 38.3 p -74.34 -5.29 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -124.65 89.1 3.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -63.1 -17.2 62.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.874 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.57 -26.6 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.425 ' O ' HG23 ' A' ' 104' ' ' THR . 25.3 m -70.99 -51.56 24.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.648 -179.189 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -49.09 -42.99 40.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.51 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -71.07 -42.2 69.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.568 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.37 75.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 93' ' ' PHE . 44.9 p -66.42 -34.55 78.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.52 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.68 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.07 -179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 16.7 mm-40 -64.1 -45.91 86.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.89 -24.94 67.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.524 -179.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.01 -52.34 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.67 -34.85 72.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 -179.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.456 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 50.1 mt-30 -58.51 -24.66 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.847 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.81 -37.02 77.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.05 -26.23 65.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.0 -179.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 20.7 mmm180 -50.67 -50.36 54.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.748 0.309 . . . . 0.0 111.617 -179.161 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.503 HG21 ' HG2' ' A' ' 115' ' ' LYS . 13.5 m -73.07 -18.58 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.829 -179.545 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 74.6 mmtt -115.83 45.01 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.046 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -21.02 66.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.326 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.25 -29.95 11.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.2 tp10 -80.56 125.9 30.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.57 -56.43 4.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -69.58 120.6 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.5 mm -118.71 105.99 44.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.377 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.09 121.59 8.21 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.343 2.029 . . . . 0.0 111.785 179.49 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.0 tp -148.12 161.72 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.429 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 44.3 tp -161.01 131.22 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 154' ' ' TYR . 3.0 p -100.91 143.06 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.257 -179.303 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 92' ' ' VAL . 15.0 p -142.4 149.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.59 -179.594 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.75 106.18 1.35 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.863 179.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -79.92 -172.3 3.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.75 0.309 . . . . 0.0 110.659 -179.364 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.59 ' HB3' HG12 ' A' ' 95' ' ' ILE . 10.2 tppt? 60.51 14.8 5.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.343 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -57.41 -18.46 18.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.389 -179.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.41 ' HB2' ' HG ' ' A' ' 158' ' ' SER . 17.6 t70 -58.38 -22.18 52.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.709 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 50.9 mt -106.71 82.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.82 -33.02 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -76.24 -10.97 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.49 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.8 mtt180 -114.98 12.47 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.211 -179.782 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.412 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.9 ttm180 -77.81 110.44 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.459 179.703 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -87.18 -32.34 19.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.93 105.49 24.15 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.471 -179.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.04 135.69 64.37 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.089 1.86 . . . . 0.0 111.405 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.492 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -52.34 -45.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.667 -179.281 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.54 -48.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.514 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.27 -40.24 93.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.62 -28.75 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtt180 -76.12 -39.74 54.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.298 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.89 -41.17 97.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.809 -179.026 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.57 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.312 -179.342 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.14 -33.78 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.869 -179.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.22 -32.0 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -68.08 -24.63 65.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.71 24.86 6.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.199 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.32 165.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -106.9 139.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.847 178.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.496 ' HB2' HG11 ' A' ' 125' ' ' VAL . 48.2 t80 -104.08 139.38 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.335 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.465 HG12 ' HZ2' ' A' ' 167' ' ' LYS . 44.5 t -135.33 153.09 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.861 179.745 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -89.83 138.18 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.3 p -145.57 154.8 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.122 0.487 . . . . 0.0 112.018 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.45 ' C ' ' H ' ' A' ' 160' ' ' LYS . 21.2 t -129.0 111.2 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.35 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.31 7.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.452 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 158' ' ' SER . 29.1 tptp -99.46 -54.03 3.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 t -90.16 3.7 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.091 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.452 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 34.55 43.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.107 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.14 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 4.4 m-20 -112.18 23.35 13.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.35 179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.502 HG23 ' HB2' ' A' ' 33' ' ' GLN . 7.6 p -66.13 -42.6 91.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.418 179.449 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.87 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 20.2 tptm -57.1 -31.82 65.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.117 -179.306 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -84.53 -27.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.21 -46.87 31.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -72.22 -39.47 68.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.639 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.33 -53.68 48.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.345 -179.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 176' ' ' ILE . 52.0 tp -62.14 -32.73 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.6 ttm -55.99 -45.86 78.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.461 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 23.9 mmm180 -68.39 -35.84 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.93 -32.03 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.465 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.4 mt -71.66 -46.97 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.464 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.461 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 11.9 ptm180 -74.38 -25.94 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.856 -179.21 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 91.2 m -87.7 -59.42 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -70.97 -54.6 10.74 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.465 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 86.7 tttt -61.76 -56.84 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -54.2 -18.08 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.133 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 38.1 m -83.69 -40.0 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.681 0.277 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 59.94 -179.93 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.074 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -103.66 132.18 50.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 179.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.932 179.971 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.518 ' H1 ' ' HB3' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 HD23 ' H1 ' ' A' ' 12' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB3' ' HB ' ' A' ' 62' ' ' VAL . . . -155.52 100.71 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.776 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -83.98 104.42 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.81 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -103.92 124.71 49.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -92.44 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.469 -179.371 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.1 139.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.59 125.72 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.448 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -81.25 105.33 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.738 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 91' ' ' LEU . 14.1 p -117.94 162.48 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.533 ' HA2' HD21 ' A' ' 91' ' ' LEU . . . 160.3 87.28 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.067 -179.768 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.494 ' N ' HG23 ' A' ' 104' ' ' THR . 29.3 t 59.62 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.793 0.33 . . . . 0.0 111.367 179.481 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.7 -49.79 0.09 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.29 64.11 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.16 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG21 ' OG ' ' A' ' 100' ' ' SER . 93.8 t -108.98 -48.85 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.233 -179.664 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.93 37.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.304 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HD2' ' O ' ' A' ' 19' ' ' MET . 26.5 mtmm -53.08 -36.69 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.3 p -72.49 -29.16 63.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.978 179.647 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.06 -52.34 65.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.164 -179.022 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD12 HG23 ' A' ' 165' ' ' VAL . 2.5 mm? -62.71 -25.37 68.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.444 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.7 m -66.38 -57.38 7.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.595 -179.414 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.27 -30.15 68.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.628 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.1 mm100 -72.69 -40.12 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 111.105 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.04 -35.09 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.534 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 33.5 mtp -82.45 -49.46 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.429 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -99.74 -20.16 16.39 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.475 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 m-20 61.24 33.91 18.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.184 0.516 . . . . 0.0 110.086 -179.164 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.75 134.86 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.65 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -89.26 108.7 19.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.5 t -136.44 135.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.71 108.21 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.976 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -161.44 141.71 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -111.55 141.59 44.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -140.65 102.98 6.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.41 154.13 31.23 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.422 2.081 . . . . 0.0 112.678 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -82.19 103.35 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.34 33.55 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.5 15.71 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.283 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -106.7 126.23 52.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -99.36 176.09 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.808 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 49.2 m-85 -107.3 162.29 14.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 179.906 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -141.23 130.44 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 111.299 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -165.31 152.06 10.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.955 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -133.73 137.39 45.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.378 . . . . 0.0 111.094 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.56 160.54 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.242 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.577 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.2 p -73.67 144.56 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.2 tp -135.96 99.62 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.16 30.97 13.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.16 -48.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.786 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -86.35 117.06 24.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.1 tt0 -84.34 114.99 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 11.3 m -117.12 152.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.088 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -86.54 164.42 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.05 146.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.901 0.382 . . . . 0.0 111.354 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -128.06 120.21 26.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.28 143.47 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.1 tp -131.51 118.76 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.91 128.25 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.9 p -118.25 150.35 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.458 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.92 -166.78 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.91 95.4 0.07 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.318 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 79' ' ' ARG . 83.1 mt -79.26 4.72 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.658 0.265 . . . . 0.0 111.337 -179.643 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.54 16.15 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.22 -12.46 12.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -96.26 150.35 20.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.81 14.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.335 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.74 -12.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.239 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.69 -19.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.194 0.521 . . . . 0.0 110.304 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.473 ' HA ' HD22 ' A' ' 72' ' ' LEU . 18.8 ttp180 -60.43 -45.39 93.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.998 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.61 -30.84 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.39 -38.12 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.487 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -69.51 -32.39 71.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.301 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.02 -18.68 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -83.14 -24.07 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 13.91 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.858 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.96 150.82 18.48 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.81 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -98.94 -37.97 9.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.451 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -108.24 159.55 14.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.478 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.8 129.76 26.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.589 HD12 HG23 ' A' ' 168' ' ' VAL . 1.1 tt -120.45 103.47 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD12 HG22 ' A' ' 125' ' ' VAL . 3.1 tm? -82.94 129.31 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.425 HG23 ' HE1' ' A' ' 19' ' ' MET . 85.5 t -141.62 120.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 111.859 -179.78 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -121.88 151.25 40.89 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.449 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.519 ' HG ' ' HG3' ' A' ' 129' ' ' LYS . 11.3 t -89.15 135.16 33.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.33 -179.833 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.44 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 25.7 pt -70.27 -32.14 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.497 ' HG1' ' HG3' ' A' ' 129' ' ' LYS . 43.7 p -72.98 -20.84 60.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.533 179.53 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.62 97.72 6.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.649 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.77 -16.23 56.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.21 -26.7 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.444 ' OG ' HG21 ' A' ' 25' ' ' VAL . 17.8 m -69.99 -53.76 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.043 -179.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.06 -40.1 57.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.545 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.573 ' HG1' ' H ' ' A' ' 103' ' ' ALA . 47.3 p -72.79 -54.01 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.457 -179.09 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.573 ' H ' ' HG1' ' A' ' 102' ' ' THR . . . -59.12 -39.3 81.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.363 -179.305 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.599 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.2 p -56.54 -31.76 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.53 -44.7 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.429 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -63.22 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.035 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -48.98 -47.31 44.32 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.913 0.387 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.8 mt-10 -70.63 -40.57 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -56.15 -33.28 65.05 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.6 -46.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.72 -26.6 65.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -55.75 -50.67 69.78 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.512 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.6 m -64.51 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.739 -179.23 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' HZ2' ' HB3' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -132.3 77.91 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 111.273 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.96 -33.48 22.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.627 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.79 -38.69 82.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.19 101.39 0.71 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.35 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.78 -29.56 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -107.49 118.04 35.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.2 107.88 32.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.562 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 18.0 Cg_endo -58.13 110.52 0.65 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.351 2.034 . . . . 0.0 112.154 -179.733 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.46 153.72 46.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -164.95 123.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.326 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.599 HG22 HD12 ' A' ' 91' ' ' LEU . 3.3 p -103.66 142.21 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.066 0.46 . . . . 0.0 111.725 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.561 HG13 HG12 ' A' ' 168' ' ' VAL . 16.8 t -144.47 152.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.625 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.05 137.02 11.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.324 179.836 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.441 HD22 HG12 ' A' ' 25' ' ' VAL . 37.5 p30 -102.65 -167.64 1.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.519 ' HG3' ' HG ' ' A' ' 94' ' ' SER . 41.6 mmtm 63.74 17.37 10.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.516 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.9 t -57.62 -14.25 5.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.41 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.59 6.6 6.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.372 . . . . 0.0 110.737 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.536 HD12 ' HD3' ' A' ' 135' ' ' ARG . 33.7 mt -130.74 74.5 1.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.81 -38.11 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.532 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.18 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.459 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.536 ' HD3' HD12 ' A' ' 132' ' ' LEU . 41.7 mtp180 -109.39 -29.45 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.963 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.516 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.0 ttm105 -40.76 108.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.214 -178.881 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -82.59 -32.76 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.281 -179.442 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.11 107.11 29.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -56.45 126.71 23.19 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.957 1.771 . . . . 0.0 111.315 179.388 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.01 -43.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.213 -179.653 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.0 -49.65 77.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.88 -29.3 69.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.27 -29.26 53.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.8 mtt180 -76.86 -38.46 53.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -62.63 -36.88 84.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.521 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -77.4 -47.95 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.55 -38.95 60.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.558 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.31 -32.09 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.649 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -51.99 -48.07 64.59 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 110.981 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.521 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.0 m0 -65.55 -18.97 65.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.52 13.41 32.77 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.107 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.86 -176.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.144 0.497 . . . . 0.0 111.463 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -125.89 130.27 50.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.69 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG23 ' A' ' 125' ' ' VAL . 29.3 t80 -94.92 131.28 41.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.0 0.429 . . . . 0.0 111.207 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.401 HG12 HG11 ' A' ' 126' ' ' VAL . 8.0 p -126.26 154.02 35.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.583 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -90.06 147.17 23.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.657 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.494 HG21 ' HB2' ' A' ' 164' ' ' ASN . 37.6 p -150.95 168.03 25.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.95 0.405 . . . . 0.0 111.485 -179.524 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -136.03 108.69 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.684 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.39 -4.38 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.01 -42.37 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -95.01 -0.37 53.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.26 41.86 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.976 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.93 -55.81 5.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.913 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.494 ' HB2' HG21 ' A' ' 157' ' ' THR . 3.3 m-20 -111.79 9.33 20.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.172 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.481 ' O ' HG21 ' A' ' 168' ' ' VAL . 8.8 p -58.18 -40.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.977 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.89 -32.95 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.281 179.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -56.65 -31.45 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.969 -179.094 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.589 HG23 HD12 ' A' ' 90' ' ' LEU . 3.3 m -73.63 -30.57 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.524 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.52 -40.13 61.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.48 -35.93 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -61.97 -50.91 70.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 -179.639 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.464 ' HB2' HD12 ' A' ' 124' ' ' LEU . 67.3 tp -65.57 -32.22 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.6 ttm -54.68 -45.76 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.471 -179.756 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.61 -36.24 83.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.12 -49.75 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.531 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 53.7 mt -58.63 -31.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.519 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 181' ' ' MET . 63.8 mtp180 -75.06 -55.27 5.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.315 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.2 m -87.56 -58.92 2.4 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.401 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -60.65 -54.32 46.78 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.531 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 27.9 tptp -62.07 -58.17 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.659 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -56.63 -15.89 5.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.795 -179.305 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 36.9 t -70.38 -60.67 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.06 159.0 0.09 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -88.96 -14.39 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.802 179.962 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.4 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.37 140.77 30.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.5 tp -114.47 112.47 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.07 123.31 47.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.14 144.23 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG22 HD13 ' A' ' 64' ' ' ILE . 2.9 t -121.36 118.39 55.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.19 105.75 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.744 179.337 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.592 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -62.93 98.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 91' ' ' LEU . 9.5 p -103.58 156.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.678 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' HG21 ' A' ' 104' ' ' THR . . . -177.87 -161.81 26.74 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.359 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 p -64.53 -45.35 87.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.401 . . . . 0.0 110.688 179.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.56 31.81 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.23 69.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.295 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -127.07 -31.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.113 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.15 36.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.409 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.2 ptpt -54.7 -34.42 62.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.4 p -66.95 -29.74 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.199 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.22 -52.6 63.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD23 HG11 ' A' ' 92' ' ' VAL . 1.7 mm? -60.05 -25.16 65.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.476 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.2 m -69.08 -57.36 5.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.65 -29.59 66.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.956 -179.198 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.3 mm100 -70.31 -43.12 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -72.98 -28.7 62.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.664 0.269 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 94.0 mmm -82.1 -49.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.398 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -117.87 -15.47 10.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.237 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.8 60.12 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG3' HG23 ' A' ' 40' ' ' VAL . 8.7 tp10 -160.83 127.26 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -89.08 106.04 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' HG3' ' A' ' 38' ' ' GLU . 95.8 t -143.17 140.54 26.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.55 108.79 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -164.67 156.47 15.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.102 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -155.86 152.66 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.43 119.0 8.4 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.8 149.73 40.01 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.405 2.07 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.5 m -90.34 122.88 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -142.13 -60.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.05 7.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.28 130.29 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -137.25 149.71 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.73 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 39.6 m-85 -96.46 159.63 14.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 179.812 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -151.04 134.25 16.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 111.093 179.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -163.4 160.49 23.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 57.6 mtpt -115.4 130.07 56.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.33 145.66 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -82.73 135.32 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.9 tp -136.32 111.0 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.729 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.3 t70 57.37 31.07 19.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.161 0.505 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 -30.53 8.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.62 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -92.83 114.02 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.1 tt0 -82.48 117.71 22.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 179.767 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.0 149.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 21.9 mt-30 -80.74 158.44 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.233 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 HD13 HG22 ' A' ' 17' ' ' VAL . 11.9 tt -144.87 126.08 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.118 0.485 . . . . 0.0 111.573 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.63 113.19 25.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.166 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 75.4 mt -101.38 126.85 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 68' ' ' ASP . 1.6 tm? -96.96 133.9 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' N ' HD12 ' A' ' 67' ' ' LEU . 27.0 t70 -52.44 -71.58 0.07 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.6 -179.331 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.41 ' OG1' HD13 ' A' ' 67' ' ' LEU . 29.0 m 66.97 144.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.762 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.23 177.82 7.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.43 108.46 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.327 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -87.42 -72.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 -179.778 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 59.37 18.03 6.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -136.41 -164.12 1.51 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 61.44 -177.5 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.13 -54.17 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.161 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -167.19 28.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.489 ' HA ' HD21 ' A' ' 81' ' ' ASN . 50.6 mm -56.17 -20.56 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -57.08 -49.09 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 179.582 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.23 -39.59 72.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.489 HD21 ' HA ' ' A' ' 78' ' ' ILE . 32.7 m-80 -53.58 -34.73 59.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.644 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -76.87 -39.66 50.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -69.55 -17.05 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.402 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -84.28 -22.04 30.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -85.5 13.45 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.514 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 167.34 25.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.797 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.48 -45.9 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.753 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.98 152.3 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.422 179.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -128.37 141.03 51.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.1 tp -133.03 108.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.325 179.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.1 tp -82.44 137.7 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.898 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.602 HG11 HD23 ' A' ' 30' ' ' LEU . 77.1 t -141.04 126.02 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.397 179.856 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.518 ' HB3' HG22 ' A' ' 104' ' ' THR . 6.1 p90 -137.55 150.71 47.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.168 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 p -89.07 133.28 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.21 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.453 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 30.7 pt -71.76 -24.87 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.422 179.494 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -72.05 -24.31 61.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.667 179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -117.78 104.39 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -62.27 -15.88 50.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.1 -26.67 62.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -179.165 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 80.7 p -70.62 -54.25 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.506 -179.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -57.53 -34.21 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 111.346 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.0 p -72.79 -54.0 10.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.343 -179.188 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.13 96.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -179.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD23 ' A' ' 91' ' ' LEU . 16.5 p -54.56 -31.03 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.673 179.2 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.54 -36.0 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.446 -179.457 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.7 -40.85 92.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.403 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 21.8 m-85 -53.33 -23.04 8.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.0 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.537 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -46.56 -46.8 19.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.16 -43.35 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.597 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 107' ' ' PHE . 1.7 mp0 -56.02 -36.0 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.322 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.59 -43.05 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 111.682 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.81 -26.78 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -53.88 -49.55 68.29 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.614 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.484 HG22 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -72.76 -29.81 31.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.175 -179.177 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.31 63.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 111.403 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.28 -17.85 35.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -97.1 -4.43 39.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.12 124.88 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.27 -47.36 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.472 ' HZ3' ' N ' ' A' ' 184' ' ' ASN . 1.1 mptm? -88.12 110.79 20.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.4 mm -108.53 104.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.085 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.02 133.5 33.59 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.245 1.963 . . . . 0.0 112.121 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.3 tp -153.22 159.2 42.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 42.1 tp -163.01 118.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.997 179.376 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.493 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -87.51 142.35 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.994 0.425 . . . . 0.0 111.331 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -137.21 146.34 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.75 125.24 6.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.252 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -96.03 -174.5 3.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.855 0.36 . . . . 0.0 110.583 -179.638 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.8 mmtp 57.62 18.18 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 p -56.93 -32.42 65.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 111.033 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -52.95 -20.46 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.855 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.432 HD12 ' HD3' ' A' ' 135' ' ' ARG . 73.2 mt -103.69 72.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.538 179.6 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.18 -21.49 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.258 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.75 -21.33 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.918 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.432 ' HD3' HD12 ' A' ' 132' ' ' LEU . 80.2 mtp180 -106.17 12.45 30.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.453 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.0 ttm180 -76.18 112.46 12.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -88.06 -29.41 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.4 t -103.73 103.01 34.21 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.078 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.5 139.14 75.23 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.203 1.935 . . . . 0.0 111.771 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.545 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -54.62 -45.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.251 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.55 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.4 mt-10 -56.83 -49.92 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.08 -31.07 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.16 -29.09 60.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.215 -179.744 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 141' ' ' GLU . 77.9 mtm180 -72.14 -42.75 65.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -61.08 -43.71 98.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.43 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.476 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.74 -48.39 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.832 -179.56 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.465 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -55.08 -35.88 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.3 -31.74 71.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.42 -49.0 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.476 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 26.3 m0 -63.34 -22.57 66.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.701 179.448 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.94 18.75 14.4 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.845 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.0 158.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.433 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.31 135.5 41.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG23 ' A' ' 125' ' ' VAL . 27.1 t80 -98.41 144.73 27.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.08 0.467 . . . . 0.0 111.694 -179.134 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.497 HG21 ' HE2' ' A' ' 167' ' ' LYS . 61.1 t -138.31 152.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.184 -179.861 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.44 144.0 26.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.33 179.589 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.4 p -150.5 156.86 42.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.052 0.453 . . . . 0.0 111.893 -178.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -137.02 111.94 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.463 179.236 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.49 ' HB1' HD13 ' A' ' 30' ' ' LEU . . . -62.89 -7.83 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.46 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -83.56 -53.43 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.0 t -92.5 -1.07 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.36 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? 33.31 46.32 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.06 -55.95 4.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.138 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 13.28 22.36 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.459 ' O ' HG21 ' A' ' 168' ' ' VAL . 7.1 p -61.81 -47.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.87 -18.63 60.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.25 179.632 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.497 ' HE2' HG21 ' A' ' 155' ' ' VAL . 1.9 tmtp? -64.28 -33.48 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 165' ' ' VAL . 15.1 m -82.26 -26.82 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.28 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -70.87 -44.09 67.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 110.459 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -72.04 -44.59 63.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 179.537 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.53 -50.03 68.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 176' ' ' ILE . 66.2 tp -59.16 -42.2 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.5 ttm -54.76 -40.33 69.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.465 ' HG2' HD11 ' A' ' 57' ' ' LEU . 77.6 mtp180 -68.89 -35.72 77.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 -179.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.73 -27.14 62.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.742 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.0 mt -72.76 -54.51 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.456 -179.767 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 181' ' ' MET . 18.2 ptt180 -63.55 -26.16 68.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.6 m -87.32 -59.68 2.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.401 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -71.07 -54.14 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.342 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -60.08 4.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.761 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.441 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.2 mmt -55.67 -21.95 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.028 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.9 t -64.02 -60.71 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.854 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.4 mt-10 60.06 18.55 7.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . 0.472 ' N ' ' HZ3' ' A' ' 120' ' ' LYS . 27.9 t-20 61.67 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.997 179.914 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.642 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.69 162.21 25.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -135.54 108.77 7.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.707 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -107.21 153.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.1 mttt -128.64 112.35 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.04 127.2 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.783 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.27 127.01 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 179.777 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.552 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.9 tpt -81.12 76.62 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -85.29 155.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.51 -167.58 35.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.559 ' HB3' HG21 ' A' ' 25' ' ' VAL . 14.2 t -60.9 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.043 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.72 -29.67 0.24 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.277 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.16 41.32 1.31 Allowed Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.941 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 22' ' ' SER . 61.1 t -88.61 -74.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 111.42 -179.618 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.37 32.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.769 -179.613 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 41.7 pttt -49.83 -38.21 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.437 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -68.74 -29.74 68.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.08 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -52.62 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.221 -179.078 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD13 HG22 ' A' ' 165' ' ' VAL . 2.2 mm? -58.97 -25.14 63.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.495 HG21 HG22 ' A' ' 66' ' ' ILE . 57.7 m -70.45 -46.2 64.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.438 -179.648 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.64 -38.51 77.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.39 -179.533 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 HE21 ' HB3' ' A' ' 162' ' ' ARG . 12.9 mm100 -60.6 -39.48 88.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.849 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.7 -25.47 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.121 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.9 tpp -81.98 -49.84 9.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.63 -14.05 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.4 m-20 64.73 39.92 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -139.9 127.64 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.532 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -86.68 110.79 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.69 143.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.12 -45.32 89.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.726 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.59 130.57 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -134.43 -178.3 4.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.099 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -130.39 118.9 18.28 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.95 135.43 58.36 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.3 2.0 . . . . 0.0 112.345 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.452 ' HG1' ' HB2' ' A' ' 68' ' ' ASP . 26.8 m -91.56 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.05 92.03 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.34 21.31 8.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.219 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -114.87 131.64 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.1 p -118.24 171.82 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -119.44 122.38 41.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.46 131.36 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -149.93 135.42 18.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -79.97 117.07 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.05 142.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.992 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.4 p -75.01 141.18 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD21 ' HE1' ' A' ' 173' ' ' MET . 52.4 tp -142.66 108.11 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.982 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.57 30.9 19.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 -33.45 6.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.661 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -99.08 119.68 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -78.7 118.31 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.195 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.78 144.7 31.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.3 132.39 35.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.023 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 tt -105.7 137.18 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -122.54 116.38 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.495 HG22 HG21 ' A' ' 31' ' ' THR . 70.7 mt -108.71 113.78 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.35 99.37 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.452 ' HB2' ' HG1' ' A' ' 46' ' ' THR . 4.0 m-20 -66.04 176.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.45 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 72' ' ' LEU . 15.7 p -146.66 -178.59 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 90.9 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' H ' ' HZ2' ' A' ' 27' ' ' LYS . . . 42.15 62.14 2.16 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.049 -179.754 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 86.5 mt -51.43 -17.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.19 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.57 -7.29 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.503 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.98 -48.13 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.294 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -59.04 142.56 50.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.83 -52.15 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.46 -10.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.38 -21.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.585 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 12.4 ptp180 -62.88 -34.54 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.142 -179.814 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.34 -31.37 72.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.323 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.53 -34.66 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -70.36 -47.8 59.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 -179.536 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.493 ' HB2' HG11 ' A' ' 114' ' ' VAL . 64.4 m-85 -63.85 -30.68 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.721 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.18 -6.11 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.6 t -95.61 3.69 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -136.53 169.07 23.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.568 179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -111.94 -27.66 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.454 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.15 166.9 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.421 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -138.13 134.14 34.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 168' ' ' VAL . 14.4 tp -124.44 100.24 6.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.556 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD23 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -84.16 104.35 14.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.483 HG22 HG11 ' A' ' 126' ' ' VAL . 11.0 p -111.49 139.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.857 179.646 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.54 ' HB3' HG23 ' A' ' 104' ' ' THR . 4.4 p90 -148.27 164.76 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.868 178.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.428 ' OG ' HG13 ' A' ' 25' ' ' VAL . 50.0 m -100.14 149.82 23.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 111.477 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 129' ' ' LYS . 5.8 pt -78.81 -42.42 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.783 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.2 p -60.45 -29.01 68.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.441 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.57 99.64 9.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.36 -16.83 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.046 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.448 ' HA ' ' HG1' ' A' ' 102' ' ' THR . 11.5 tp10 -71.57 -26.39 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.198 0.523 . . . . 0.0 110.227 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.409 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 24.9 m -65.47 -53.53 41.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.271 -179.505 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.17 -34.21 74.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.799 -179.37 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.448 ' HG1' ' HA ' ' A' ' 99' ' ' GLU . 60.6 p -71.75 -53.83 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.946 -179.075 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.23 93.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.712 -179.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.566 ' HB ' HD23 ' A' ' 91' ' ' LEU . 10.1 p -57.81 -31.22 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.401 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.14 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -66.76 -44.43 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.76 -25.27 64.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.078 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -49.84 -45.86 50.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.921 0.391 . . . . 0.0 110.312 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 46.5 mt-10 -70.67 -39.43 73.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.917 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.14 -34.23 65.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.029 -179.611 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.7 mt -58.68 -47.33 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.08 -29.9 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.648 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 30.3 mtp180 -60.04 -51.3 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.782 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.57 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -65.94 -13.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.57 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.9 mmtt -125.64 64.6 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.0 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.381 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -102.03 22.63 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 110.395 179.668 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 12.8 pt-20 -56.45 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.219 -179.392 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.67 -44.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.624 179.491 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -140.31 90.38 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.987 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.5 mm -89.39 111.09 43.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.677 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.454 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -80.5 135.18 10.36 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.437 2.091 . . . . 0.0 111.911 179.39 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -144.8 160.66 40.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.0 tp -162.16 126.58 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.233 179.286 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.497 HG21 ' HD1' ' A' ' 154' ' ' TYR . 3.2 p -105.91 143.64 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.821 -179.024 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 92' ' ' VAL . 7.7 p -145.97 140.83 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.994 179.421 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.83 108.92 2.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.174 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.3 p-10 -83.2 -161.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.46 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.487 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.9 tppt? 65.73 10.7 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.418 ' HG ' ' HB3' ' A' ' 156' ' ' GLU . 68.3 m -58.99 -10.79 2.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.248 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.59 -2.12 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 110.531 179.415 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.471 HD11 ' HD2' ' A' ' 135' ' ' ARG . 63.0 mt -128.72 77.31 1.77 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.5 -35.45 73.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -71.71 -9.19 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.154 -179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.471 ' HD2' HD11 ' A' ' 132' ' ' LEU . 97.6 mtt180 -116.94 -6.36 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.375 -179.809 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -56.84 107.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 179.885 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -86.52 -32.55 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.207 -179.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.1 t -92.3 110.48 44.84 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 125.46 16.16 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.946 1.764 . . . . 0.0 111.019 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -49.99 -44.33 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.331 -179.466 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.48 -43.71 72.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.286 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.17 -53.06 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.9 64.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.326 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.1 mtt180 -68.22 -51.07 49.57 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -56.84 -37.71 71.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.689 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -70.46 -48.47 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 179.73 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.33 -30.49 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.572 -179.284 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.15 -32.3 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.83 -36.02 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -77.51 -18.73 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.46 15.25 27.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.972 -179.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.1 -175.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.454 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.13 143.48 49.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.687 178.924 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.497 ' HD1' HG21 ' A' ' 125' ' ' VAL . 26.4 t80 -109.7 124.84 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.941 0.4 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.473 HG21 ' HZ2' ' A' ' 167' ' ' LYS . 9.8 p -123.11 154.4 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.418 ' HB3' ' HG ' ' A' ' 130' ' ' SER . 36.2 mt-10 -89.05 146.37 24.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.783 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 32.8 p -149.33 169.22 21.31 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.652 -179.39 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -138.37 110.98 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.62 179.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.44 -6.58 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.284 -180.0 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -90.56 -51.18 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.402 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 60.4 p -86.51 -6.8 58.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.51 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.5 ppt_? 37.0 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.037 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.81 -51.37 10.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.802 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.49 8.41 31.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 30' ' ' LEU . 11.7 p -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.074 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.98 -14.79 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.016 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.473 ' HZ2' HG21 ' A' ' 155' ' ' VAL . 1.1 tmtp? -67.5 -36.51 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.637 -179.274 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 p -76.26 -28.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.727 -178.912 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -71.51 -43.94 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.98 -42.65 66.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.66 -51.94 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 172' ' ' LEU . 0.9 OUTLIER -58.21 -49.09 78.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.532 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 13.6 ttp -53.9 -41.27 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.546 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.69 -37.51 76.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.005 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.42 -32.63 74.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 86.0 mt -72.84 -50.14 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.38 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 173' ' ' MET . 67.7 mtp180 -58.78 -31.01 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.2 m -87.27 -58.71 2.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.201 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -69.67 -54.08 15.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.939 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.44 -56.46 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.799 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.3 mmt -61.6 -13.04 18.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.766 -179.063 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.4 t -65.71 -57.28 8.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.65 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 56.24 19.99 4.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.456 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.87 129.5 40.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.5 tptm . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.818 179.966 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD13 ' H2 ' ' A' ' 12' ' ' LEU . 10.0 mp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.42 155.58 40.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.29 116.76 23.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -112.85 149.7 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.4 mttm -128.7 127.0 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.02 130.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.42 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -66.91 94.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.751 179.802 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 21' ' ' GLY . 7.6 p -102.72 164.04 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.645 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' HA2' HG23 ' A' ' 104' ' ' THR . . . 170.86 -163.29 36.36 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.768 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -57.28 -49.56 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.029 0.442 . . . . 0.0 110.766 -179.977 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.79 -17.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.279 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.85 90.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.561 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.1 m -134.64 -0.36 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.307 . . . . 0.0 111.419 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.42 40.02 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.806 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 35.3 mtmm -64.43 -54.43 32.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.89 0.376 . . . . 0.0 110.658 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.491 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -57.13 -29.93 64.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.766 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.63 -52.29 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.474 -179.69 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.443 HD12 HG12 ' A' ' 92' ' ' VAL . 5.8 mt -58.05 -25.54 61.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.084 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.6 m -73.81 -39.58 63.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.801 179.698 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.87 -29.66 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.413 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 11.8 mm100 -76.72 -33.48 58.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.0 110.565 179.826 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -73.45 -48.14 35.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.382 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.545 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 71.4 mtp -82.13 -49.91 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -178.326 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -96.96 -28.67 14.08 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 26.5 t70 58.31 60.18 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 -179.191 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -166.8 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.704 -179.631 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -85.52 108.13 17.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.008 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG11 ' H ' ' A' ' 42' ' ' ASP . 21.5 t -135.43 147.03 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.34 -0.62 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.59 ' H ' HG11 ' A' ' 40' ' ' VAL . 16.9 t70 -71.99 97.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -90.86 150.11 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.978 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -131.16 102.13 15.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 179.898 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.46 128.58 21.64 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.329 2.019 . . . . 0.0 112.09 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.459 ' HG1' ' HB2' ' A' ' 68' ' ' ASP . 87.1 m -95.78 136.23 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.189 -179.728 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -117.98 -49.41 2.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.695 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.13 -8.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.21 129.4 34.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.416 ' HB3' HD21 ' A' ' 67' ' ' LEU . 81.3 p -107.68 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 77.2 m-85 -112.49 161.12 17.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.737 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -150.76 132.48 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HZ1' ' HA ' ' A' ' 35' ' ' MET . 40.4 ttpt -144.93 149.68 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.464 179.832 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 62.3 mttp -109.13 119.63 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.962 0.411 . . . . 0.0 111.21 -179.723 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.07 149.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.932 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.7 p -81.31 145.15 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -138.5 103.29 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 56.02 31.24 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.98 -35.16 5.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.399 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -92.33 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.702 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.7 tt0 -85.77 122.16 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.28 152.82 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.667 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.516 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 48.6 mt-30 -81.18 144.92 31.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -121.65 123.37 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.548 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 21.8 t70 -110.02 114.39 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG21 HG22 ' A' ' 31' ' ' THR . 62.6 mt -105.54 134.54 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.592 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 50' ' ' SER . 2.3 tm? -132.17 112.74 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.079 179.878 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' HB2' ' HG1' ' A' ' 46' ' ' THR . 17.1 m-20 -82.68 146.28 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.501 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -128.08 103.79 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 176.42 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.55 107.98 1.88 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.517 ' HB2' HH21 ' A' ' 79' ' ' ARG . 95.1 mt -86.48 28.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 64.85 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.389 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -160.35 -0.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.001 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -61.81 104.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.96 -16.88 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.361 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.656 -179.6 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.43 HG21 ' HE2' ' A' ' 82' ' ' TYR . 63.1 mt -76.82 -51.25 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.253 -179.708 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.517 HH21 ' HB2' ' A' ' 72' ' ' LEU . 8.9 ptp180 -61.63 -37.82 85.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -57.05 -31.77 65.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.459 179.673 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -70.62 -34.85 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.43 ' HE2' HG21 ' A' ' 78' ' ' ILE . 60.8 m-85 -66.13 -43.14 87.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' HB2' HG12 ' A' ' 114' ' ' VAL . 29.6 m-85 -63.95 -18.01 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.09 -33.53 26.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -87.5 11.28 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.5 148.56 17.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.647 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 180' ' ' LYS . 13.3 mm-40 -107.39 -1.6 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -138.52 159.16 25.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.354 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -137.8 134.82 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 110.971 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -127.0 105.58 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.646 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD12 ' HB ' ' A' ' 104' ' ' THR . 5.3 tp -82.76 123.36 29.24 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 -179.796 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG12 HD12 ' A' ' 30' ' ' LEU . 40.6 t -128.82 135.07 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.793 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.634 ' HB3' HG21 ' A' ' 104' ' ' THR . 11.1 p90 -145.04 147.16 32.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.202 178.507 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.419 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 37.4 t -88.73 147.42 24.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 111.169 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.552 HG12 ' HB3' ' A' ' 129' ' ' LYS . 27.4 pt -77.78 -34.17 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 p -71.97 -5.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.646 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -128.34 97.14 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.567 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -62.87 -17.04 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.41 -26.91 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -67.21 -54.19 23.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.694 -179.388 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.05 -37.25 71.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.17 -54.0 10.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.961 -179.229 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.32 91.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.242 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.634 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -54.24 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 110.591 179.379 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.27 65.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.216 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -69.43 -47.07 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.701 179.813 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.8 -25.66 65.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.005 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -54.24 -44.3 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.49 -33.36 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.561 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 64.7 mt-30 -64.68 -29.8 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.63 -45.05 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.92 -26.83 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.913 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.561 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 27.5 mmt180 -53.05 -50.77 63.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.877 0.37 . . . . 0.0 111.668 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.492 HG23 ' HG2' ' A' ' 115' ' ' LYS . 14.8 m -69.77 -39.42 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.734 -179.522 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -96.08 35.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.821 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.94 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.98 -36.56 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.25 173.9 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.021 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -124.99 -50.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -80.02 97.2 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.46 179.8 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.37 120.89 49.21 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.534 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.41 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.9 Cg_endo -74.6 124.28 8.71 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.339 2.026 . . . . 0.0 112.022 179.692 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.9 tp -147.24 156.87 43.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.639 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.8 tp -157.72 125.88 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.288 179.357 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.476 HG11 ' HA ' ' A' ' 154' ' ' TYR . 3.9 p -99.0 143.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG23 ' A' ' 92' ' ' VAL . 9.8 p -147.32 146.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 111.487 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -118.17 105.89 1.28 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.809 179.573 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 157' ' ' THR . 22.7 p-10 -80.33 -163.94 0.63 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.552 ' HB3' HG12 ' A' ' 95' ' ' ILE . 32.3 tptt 63.37 12.97 6.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 132' ' ' LEU . 58.0 m -55.77 -14.75 2.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.355 -179.701 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.413 ' HB3' ' HG ' ' A' ' 158' ' ' SER . 6.0 p-10 -64.62 -3.55 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.333 179.499 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 74.7 mt -126.53 79.09 1.83 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.718 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -71.24 -23.21 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.89 -9.4 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.027 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.6 mtt180 -116.54 11.05 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.179 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.429 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.6 ttm180 -74.83 108.42 7.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.23 -34.41 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.475 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.1 t -87.07 111.86 43.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.33 156.62 34.59 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.173 1.916 . . . . 0.0 111.891 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 94.0 t -68.09 -66.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.468 -179.783 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -53.67 -27.79 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.721 -179.135 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.04 -44.38 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.46 67.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.4 mtt180 -77.69 -40.82 40.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -179.759 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -50.48 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.697 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -48.89 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.337 . . . . 0.0 111.065 -179.436 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -64.4 -28.63 69.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.402 -179.603 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.94 -32.39 69.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.019 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.03 -36.85 65.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -72.91 -22.53 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.69 31.45 4.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.466 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.38 173.96 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.57 132.79 55.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.762 179.099 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.476 ' HA ' HG11 ' A' ' 125' ' ' VAL . 44.4 t80 -95.63 138.86 32.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.176 0.512 . . . . 0.0 111.671 -179.104 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.12 154.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.041 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.86 141.58 28.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 67.8 p -150.33 173.54 13.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.413 ' HG ' ' HB3' ' A' ' 131' ' ' ASP . 28.5 t -147.82 111.62 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.69 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.71 -6.63 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 49.7 p -83.67 -9.46 58.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 37.44 35.12 0.05 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.862 -179.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.55 -55.73 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.737 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -112.07 18.67 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.549 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.6 p -64.34 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.579 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.1 -14.54 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.558 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -62.64 -37.55 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 165' ' ' VAL . 28.0 m -71.9 -27.1 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.418 -178.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.09 -46.75 32.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -71.82 -47.52 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.365 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.43 -54.04 46.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.28 -35.63 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.754 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.7 ttm -57.6 -44.06 85.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.571 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -69.56 -34.65 74.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.027 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 15.6 mm-40 -60.63 -35.76 76.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.49 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.2 mt -66.24 -37.96 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 181' ' ' MET . 36.5 mtm180 -76.36 -43.47 40.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.969 -179.674 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 58.6 m -87.68 -58.75 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.077 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 80.1 tttt -69.67 -54.42 13.97 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -177.145 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.9 tttt -61.97 -35.46 78.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.168 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -81.97 -39.62 23.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -178.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.0 m -94.19 -62.99 1.24 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.495 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 179' ' ' LYS . 8.5 pt-20 179.33 173.51 0.82 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.242 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -54.86 -30.82 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.802 -179.972 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.554 HD13 ' H2 ' ' A' ' 12' ' ' LEU . 9.6 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.07 141.13 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.609 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -108.63 103.41 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.443 -179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -104.45 146.1 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.583 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.16 128.9 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.261 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.68 137.2 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.775 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 HD12 ' HA3' ' A' ' 86' ' ' GLY . 22.4 mm -106.33 132.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.295 -179.838 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -86.04 90.33 8.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.332 179.728 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 91' ' ' LEU . 10.9 p -100.99 154.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.353 -179.706 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA2' HG23 ' A' ' 104' ' ' THR . . . -177.64 -161.9 26.79 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.364 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.518 ' HB3' HG23 ' A' ' 25' ' ' VAL . 13.0 t -59.15 -61.99 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.672 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.29 -36.78 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.032 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.5 46.57 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.143 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 22' ' ' SER . 70.1 t -90.94 -66.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 0.0 111.268 -179.736 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.81 37.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.813 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -48.47 -48.03 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.994 0.426 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 60.5 p -66.0 -29.81 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 179.874 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.14 -53.4 54.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.367 -178.7 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.402 HD23 HG13 ' A' ' 92' ' ' VAL . 2.9 mm? -61.21 -24.84 66.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.372 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 58.8 m -71.9 -44.39 63.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.819 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.38 -42.73 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.569 -179.25 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 10.2 mm100 -55.96 -39.47 71.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 -179.683 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.75 -25.47 61.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.721 0.296 . . . . 0.0 111.483 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.2 tpp -81.94 -49.6 10.1 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.3 -3.1 10.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.6 m-20 58.83 29.51 18.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.39 140.7 35.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -91.39 107.3 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.527 HG12 ' H ' ' A' ' 42' ' ' ASP . 27.6 t -114.33 142.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.38 -35.06 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.527 ' H ' HG12 ' A' ' 40' ' ' VAL . 28.5 m-20 -61.16 151.41 31.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -156.7 176.28 12.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.85 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 40.8 tt0 -153.3 132.23 6.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 20.1 Cg_exo -65.58 153.67 77.17 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.32 2.013 . . . . 0.0 112.02 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -124.48 136.74 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -128.46 -27.5 2.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.4 -9.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.265 -179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -79.45 137.83 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.788 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.4 p -128.97 170.3 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -109.1 150.89 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -140.1 134.5 31.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.965 0.412 . . . . 0.0 111.046 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.42 162.31 41.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.52 129.4 55.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 111.628 -179.434 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.56 144.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.635 179.636 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -91.7 143.48 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD21 ' SD ' ' A' ' 173' ' ' MET . 53.1 tp -146.32 113.85 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 57.37 31.04 19.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.113 -179.803 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.26 36.27 18.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.729 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.14 114.78 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.841 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.42 124.8 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.73 149.64 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 179.768 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.22 125.29 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.55 135.72 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.725 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.11 115.34 25.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.034 -179.681 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 HG22 HG21 ' A' ' 31' ' ' THR . 68.3 mt -99.67 136.72 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -124.99 100.36 6.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.65 124.95 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 p -95.69 169.21 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.29 -163.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.779 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.43 90.95 0.06 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.353 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 38.4 mt -76.56 3.48 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.258 -179.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.69 -25.91 65.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.07 -29.09 70.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -97.38 153.19 18.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.404 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.43 9.92 0.74 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.26 -16.4 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.562 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 93.2 mtt180 -49.96 -27.94 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.79 -179.903 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.26 -32.31 64.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.521 -179.489 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.89 -45.95 89.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.536 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -63.34 -52.42 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.863 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -62.55 -32.58 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 111.404 -179.466 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -79.61 -1.41 37.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.4 -179.655 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.6 t -102.86 9.06 39.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.036 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' HA3' HD12 ' A' ' 18' ' ' ILE . . . -143.6 173.82 24.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.599 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.42 -29.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.702 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -105.31 155.77 16.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.54 133.25 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.707 0.289 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD22 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -126.2 101.98 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.023 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.588 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -83.45 126.36 32.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.402 HG13 HD23 ' A' ' 30' ' ' LEU . 20.0 t -130.12 143.77 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 179.915 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.576 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -153.07 156.96 39.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.397 178.549 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.4 m -96.76 149.62 21.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.057 0.456 . . . . 0.0 111.302 -179.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.581 HG12 ' HB3' ' A' ' 129' ' ' LYS . 15.6 pt -78.53 -36.01 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 p -71.85 -4.4 27.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.63 97.51 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.83 -18.05 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.58 -26.53 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 30.0 m -67.39 -54.25 22.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.467 -179.322 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.82 -34.82 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.1 p -71.82 -53.32 13.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.713 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.2 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.588 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.5 p -66.46 -30.51 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.045 0.45 . . . . 0.0 110.664 179.295 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.26 -54.55 42.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.172 -179.156 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.65 -43.6 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.647 0.26 . . . . 0.0 111.106 -179.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.3 -32.5 62.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.017 179.646 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -57.87 -45.89 85.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.338 179.664 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.44 -33.41 71.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' O ' HG21 ' A' ' 114' ' ' VAL . 88.8 mt-30 -62.01 -28.2 69.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.12 -44.95 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 111.259 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.0 mt -67.07 -25.3 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.542 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.572 ' HG3' ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -65.05 -43.23 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.36 0.6 . . . . 0.0 110.608 -179.179 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.572 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -84.36 -13.55 11.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.963 -179.233 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -127.04 35.1 4.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.89 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.99 -26.62 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -99.31 131.0 45.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.3 -60.69 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.573 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 4.1 mptp? -75.92 98.59 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.3 mm -102.02 104.59 37.09 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.738 179.823 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.457 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.8 Cg_endo -62.64 116.59 3.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.318 2.012 . . . . 0.0 112.234 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.09 152.0 47.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.527 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD21 HG21 ' A' ' 168' ' ' VAL . 12.5 tp -153.73 119.99 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.59 HG12 ' HB2' ' A' ' 147' ' ' ALA . 5.6 p -97.24 140.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.502 -179.191 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 168' ' ' VAL . 37.4 t -146.5 146.54 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.042 179.857 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.19 115.48 3.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.116 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.98 -166.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.581 ' HB3' HG12 ' A' ' 95' ' ' ILE . 1.1 tppp? 68.09 11.39 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.5 t -58.73 -13.36 5.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.33 -13.11 6.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.017 0.437 . . . . 0.0 110.516 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 135' ' ' ARG . 22.9 mt -120.66 86.62 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.616 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.428 ' HG2' HH22 ' A' ' 136' ' ' ARG . 36.1 mt-10 -72.78 -29.04 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.206 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.32 -23.23 37.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.365 -179.57 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.52 ' HD2' HD12 ' A' ' 132' ' ' LEU . 98.5 mtt180 -101.27 12.11 38.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.269 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.8 ttm105 -76.41 108.04 9.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 0.0 110.322 179.507 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -83.7 -31.86 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.612 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -97.89 108.33 45.57 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.497 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.78 133.81 53.37 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.226 1.951 . . . . 0.0 111.409 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.7 p -52.0 -46.28 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.57 -48.71 74.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.129 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.51 -31.47 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.85 64.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.3 mtt180 -77.0 -39.23 51.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.185 -179.779 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.5 t -63.83 -41.1 97.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -46.76 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.59 ' HB2' HG12 ' A' ' 125' ' ' VAL . . . -64.29 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.92 -179.464 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.49 -32.35 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -52.41 -38.69 59.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -67.43 -26.77 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.19 28.02 4.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.66 175.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.663 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.49 128.37 55.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.707 179.031 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.468 ' HA ' HG13 ' A' ' 125' ' ' VAL . 38.0 t80 -95.68 142.85 27.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.211 0.529 . . . . 0.0 111.798 -179.188 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.15 150.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.78 144.21 26.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.6 p -150.38 173.26 14.21 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.535 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.4 p -136.71 110.79 8.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.31 6.58 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.521 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -99.75 -47.33 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.81 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.9 p -92.46 -0.7 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.439 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 35.25 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.763 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.05 -55.2 5.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.649 -179.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.7 p30 -111.11 23.54 13.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.933 -179.452 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.454 HG21 ' HB2' ' A' ' 33' ' ' GLN . 3.9 p -68.68 -37.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.99 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.16 -14.97 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.49 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 46.5 tptt -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.747 -179.393 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.611 HG23 HD22 ' A' ' 90' ' ' LEU . 14.4 p -81.61 -29.23 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.102 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -73.78 -46.76 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -68.89 -43.48 75.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.216 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.8 -52.69 64.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.49 -32.63 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.414 ' SD ' HD21 ' A' ' 57' ' ' LEU . 49.3 ttm -59.05 -42.77 91.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.73 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.47 -39.94 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.19 -47.15 87.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.669 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 77.0 mt -58.38 -32.57 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -73.7 -53.33 10.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.606 -179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -88.05 -58.81 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -178.631 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.499 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -61.84 -54.55 40.63 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.651 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 13.6 tmtt? -60.45 -44.72 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.818 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.2 mmt -75.64 -12.91 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.647 0.261 . . . . 0.0 111.564 -179.317 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.8 t -68.73 -60.95 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.573 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.9 mt-10 57.3 20.84 6.15 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.443 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -151.2 -52.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 57.3 tptt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.869 -179.894 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.45 HO2' HO3' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 162.09 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.755 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -128.46 114.99 17.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.231 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -116.0 142.74 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.367 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 62.9 mttp -119.66 103.18 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.493 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -95.47 124.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.669 179.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mm -108.11 126.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.578 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.445 ' HE2' ' HB2' ' A' ' 30' ' ' LEU . 96.2 mmm -78.05 90.7 4.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.398 179.397 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.502 HG12 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -95.44 156.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.22 -160.22 19.25 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 -179.819 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.463 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 77.4 p -62.04 -48.57 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.543 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.463 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . 140.79 31.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.409 -179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.67 37.39 0.02 OUTLIER Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.726 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 93' ' ' PHE . 7.0 t -94.67 -57.97 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.639 0.257 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.98 41.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -49.93 -35.72 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.248 0.547 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.2 p -82.3 -28.44 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.17 -52.88 63.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.507 -178.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.471 HD21 HG12 ' A' ' 92' ' ' VAL . 2.1 mm? -64.88 -24.82 67.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.369 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 28' ' ' SER . 95.6 m -69.27 -44.17 72.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.552 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.96 -33.14 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.361 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.5 mm100 -73.09 -29.53 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.4 -179.706 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.88 -48.08 40.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.593 ' HE3' ' HB3' ' A' ' 51' ' ' TYR . 55.9 ttm -82.21 -49.7 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.507 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.19 -22.23 27.08 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.4 m-20 56.95 27.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.493 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.3 150.4 45.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.26 -179.525 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -99.87 105.59 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.34 179.462 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.12 143.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.551 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.34 104.0 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.779 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -148.37 146.72 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -132.1 102.41 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -109.84 108.73 59.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.38 147.3 57.53 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.369 2.046 . . . . 0.0 112.326 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -74.34 97.18 2.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.693 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -90.74 31.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.754 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.18 13.65 8.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.267 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.1 128.59 42.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.466 ' HG ' ' HB2' ' A' ' 67' ' ' LEU . 50.6 m -108.89 156.54 19.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 -179.724 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' HB3' ' HE3' ' A' ' 35' ' ' MET . 31.6 m-85 -97.1 153.42 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.669 179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -150.14 134.03 16.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -153.96 137.85 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.768 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -79.11 121.25 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.85 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.417 HG22 ' HE3' ' A' ' 173' ' ' MET . 34.2 m -128.84 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.0 p -83.92 143.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 174' ' ' ARG . 64.3 tp -144.3 107.81 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 56.48 31.06 18.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.53 -29.68 11.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HB3' HH12 ' A' ' 177' ' ' ARG . 10.0 tp10 -93.7 113.65 25.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.601 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.6 tt0 -83.57 116.94 22.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.4 147.73 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.45 140.39 32.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.61 137.21 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.018 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.523 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 17.0 t70 -117.54 114.22 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.23 133.97 57.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.317 -179.584 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.466 ' HB2' ' HG ' ' A' ' 50' ' ' SER . 3.2 tm? -144.76 114.38 7.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.635 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.2 157.98 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.8 p -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.02 -174.75 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.64 118.85 4.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.394 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD23 ' HB3' ' A' ' 79' ' ' ARG . 5.9 mp -88.06 -68.38 0.76 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 66.31 -77.89 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.196 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.2 -23.53 55.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.0 81.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.23 -16.59 58.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -51.24 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.812 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.472 ' HA ' HD21 ' A' ' 81' ' ' ASN . 57.2 mt -54.71 -34.33 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.735 -179.444 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.433 ' HB3' HD23 ' A' ' 72' ' ' LEU . 9.4 ptp180 -58.04 -37.09 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.472 HD21 ' HA ' ' A' ' 78' ' ' ILE . 26.5 m-80 -57.62 -34.57 69.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.463 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -69.32 -48.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.43 -20.59 46.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.311 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -79.93 -32.98 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.6 t -82.55 -3.22 55.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.26 153.79 16.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.582 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.47 -54.23 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.643 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.15 160.93 25.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.498 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -136.28 140.72 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 168' ' ' VAL . 1.3 tt -130.77 104.03 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.603 HD22 ' HB ' ' A' ' 104' ' ' THR . 6.0 tp -82.46 129.23 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.795 -179.748 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.471 HG12 HD21 ' A' ' 30' ' ' LEU . 39.1 t -136.36 133.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.727 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.4 p90 -138.22 160.3 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.478 178.786 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.3 m -98.73 129.2 45.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 111.175 -179.621 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 129' ' ' LYS . 18.9 pt -62.73 -33.17 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.424 HG21 HD13 ' A' ' 132' ' ' LEU . 72.9 p -70.28 -21.04 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.295 179.351 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -114.37 92.2 3.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.549 179.613 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.19 -15.84 49.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.01 -26.7 61.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.43 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.1 m -73.34 -46.96 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.0 -179.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -50.92 -43.59 59.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.377 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.4 -54.05 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -179.13 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -39.68 73.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.603 ' HB ' HD22 ' A' ' 91' ' ' LEU . 18.3 p -61.18 -31.43 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.56 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.62 81.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.292 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.46 -41.15 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.56 -25.64 66.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -51.87 -49.32 63.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.08 -36.99 72.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.433 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 9.2 mm-40 -60.06 -33.3 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.99 -37.32 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.212 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.53 -25.57 65.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.699 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 63.5 mtp180 -50.42 -50.54 51.69 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.741 -179.413 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG21 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -71.65 -41.03 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.766 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG21 ' A' ' 114' ' ' VAL . 75.6 mmtt -94.3 39.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.828 -179.82 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.38 -21.85 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.52 -13.9 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.959 -179.79 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.4 tp10 -96.8 149.5 21.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -99.93 -52.52 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.498 ' HZ3' ' N ' ' A' ' 185' ' ' LYS . 45.4 mmtm -74.39 108.78 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.8 mm -116.29 103.44 53.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.643 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.8 Cg_endo -69.99 119.92 6.77 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.335 2.023 . . . . 0.0 112.176 179.829 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -138.75 162.42 34.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 -179.791 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 39.2 tp -167.14 118.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.487 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -93.27 141.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.396 -179.437 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.431 HG12 HG12 ' A' ' 168' ' ' VAL . 42.1 t -143.43 143.19 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.929 -179.572 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.27 121.53 5.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.327 179.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -91.72 -166.11 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.795 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' O ' HD13 ' A' ' 95' ' ' ILE . 71.4 mmtt 61.69 14.64 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.369 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.499 ' HG ' ' HB3' ' A' ' 156' ' ' GLU . 68.3 m -59.8 -15.14 18.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.91 -8.92 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.454 179.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.477 HD12 ' HD3' ' A' ' 135' ' ' ARG . 42.2 mt -119.92 83.8 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.417 ' HG2' HH22 ' A' ' 136' ' ' ARG . 45.7 mt-10 -72.86 -36.05 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.58 -9.71 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.474 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.477 ' HD3' HD12 ' A' ' 132' ' ' LEU . 73.5 mtp180 -114.16 -2.81 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.299 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.441 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.7 ttm180 -65.25 108.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -82.36 -33.46 28.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.421 -179.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.43 112.07 64.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.277 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 132.92 44.82 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.076 1.851 . . . . 0.0 111.549 179.249 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -53.34 -43.32 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.102 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.0 -47.73 80.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.99 -38.59 91.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.83 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.287 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.5 mtt180 -63.44 -51.76 64.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.362 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -55.57 -42.61 74.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -63.29 -48.56 77.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.94 79.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.545 -179.323 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.86 -31.79 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.69 -48.79 63.35 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.767 0.318 . . . . 0.0 111.02 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -72.23 -16.57 61.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.95 19.08 18.2 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 -179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.02 175.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.065 0.46 . . . . 0.0 111.374 -179.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -119.72 130.81 55.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.735 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.487 ' HD1' HG23 ' A' ' 125' ' ' VAL . 37.1 t80 -94.8 135.77 35.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.062 0.458 . . . . 0.0 111.188 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.2 153.8 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.499 ' HB3' ' HG ' ' A' ' 130' ' ' SER . 36.6 mt-10 -89.78 142.69 27.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.475 179.556 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.6 p -147.67 164.48 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.078 0.466 . . . . 0.0 111.518 -179.539 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 160' ' ' LYS . 70.5 m -140.3 111.43 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.313 179.534 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.73 -1.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.487 -179.686 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 158' ' ' SER . 83.6 tttt -99.3 -36.24 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.929 179.688 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.8 p -98.47 -5.72 31.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.477 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.21 39.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.424 0.452 . . . . 0.0 111.904 -179.986 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.19 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.202 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -111.5 7.0 20.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.2 p -61.47 -41.81 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.76 -21.6 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.081 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -70.14 -31.51 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.871 -179.234 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.534 HG21 HD12 ' A' ' 90' ' ' LEU . 3.1 m -74.3 -29.07 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.694 0.283 . . . . 0.0 111.528 -179.1 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.58 -45.61 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.44 -34.96 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.84 -53.36 58.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 54.4 tp -64.12 -33.94 76.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.417 ' HE3' HG22 ' A' ' 55' ' ' VAL . 45.6 ttm -56.75 -44.95 82.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.829 -179.91 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.427 ' HG2' HD23 ' A' ' 57' ' ' LEU . 81.1 mtp180 -64.46 -34.28 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.787 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -71.52 -30.89 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.574 -179.586 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.3 mt -69.68 -45.08 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 111.28 -179.808 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.504 HH12 ' HB3' ' A' ' 60' ' ' GLU . 13.0 ptm180 -74.46 -29.33 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.715 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.0 m -87.98 -59.59 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 182' ' ' SER . 82.5 tttt -70.51 -54.15 13.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.788 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -54.6 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -58.86 -12.9 4.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.742 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 40.2 m -70.41 -60.66 2.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.009 179.696 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.9 21.68 6.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.98 -71.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.498 ' N ' ' HZ3' ' A' ' 120' ' ' LYS . 23.3 tptm . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.587 ' H2 ' HD12 ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.27 33.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -129.04 106.62 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -104.16 152.42 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -116.78 145.71 43.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.67 124.32 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.247 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.47 106.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.593 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.2 tpt -67.75 98.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.637 -179.695 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.0 p -117.17 153.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 164.92 85.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.964 -179.788 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.6 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.76 0.314 . . . . 0.0 111.339 179.449 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.04 -63.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.283 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.21 70.01 0.21 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.101 179.693 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -114.8 -56.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.687 0.28 . . . . 0.0 111.316 -179.574 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.16 37.04 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.236 -179.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.593 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 30.2 mtmm -54.32 -39.76 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.771 0.319 . . . . 0.0 111.263 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 31' ' ' THR . 83.8 p -62.74 -29.91 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.62 -52.45 57.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.827 -179.074 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 165' ' ' VAL . 2.6 mm? -58.52 -24.93 61.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.258 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.473 ' HB ' ' O ' ' A' ' 28' ' ' SER . 34.1 m -73.84 -45.28 52.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.735 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.0 -30.23 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -71.41 -36.11 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.758 -179.355 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.45 -31.23 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.187 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.8 ttm -82.25 -49.43 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.292 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -100.45 -10.65 20.9 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.136 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.2 m-20 55.34 32.07 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.571 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.35 155.48 42.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.573 -179.487 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -95.83 109.45 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 -179.901 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -133.31 139.68 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -86.57 120.0 27.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -164.83 165.37 20.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -140.04 125.93 19.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -139.15 103.85 7.31 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.65 146.69 92.65 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.348 2.032 . . . . 0.0 112.429 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -77.91 119.58 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -129.35 62.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.8 15.26 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.327 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -105.74 129.66 53.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -119.21 164.23 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -94.57 156.05 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -146.02 137.22 24.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.143 0.496 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -166.67 167.92 14.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.524 179.435 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HB2' ' HG3' ' A' ' 63' ' ' GLN . 1.7 ttpt -129.48 133.72 47.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.884 0.374 . . . . 0.0 110.987 -179.126 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.98 154.4 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -72.14 145.62 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.78 100.56 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.1 31.3 16.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.448 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.44 -35.1 4.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.171 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.81 114.0 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.401 179.833 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -78.17 114.88 17.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.22 145.04 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.463 ' HG3' ' HB2' ' A' ' 54' ' ' LYS . 8.4 mt-30 -85.43 169.78 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.89 136.15 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -125.63 114.58 18.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.78 138.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 111.648 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.3 tp -135.26 129.47 33.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.71 165.63 15.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.6 p -130.6 -17.06 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.24 -173.06 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.256 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.05 87.01 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.551 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 88.6 mt -59.53 -44.3 93.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 59.9 -84.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.45 -33.22 73.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.11 -179.689 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.551 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 66.6 m-85 -97.81 62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.81 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.0 53.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' A' ' 75' ' ' TYR . 48.7 mt -83.57 -19.11 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -52.49 -45.92 66.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -55.03 -38.64 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.47 -38.71 78.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.498 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -70.43 -29.61 66.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -81.51 -16.29 52.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.247 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -80.03 -47.81 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.034 -179.762 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.0 m -75.41 -0.31 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.53 155.94 18.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.809 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -108.75 -41.48 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.5 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.36 153.85 17.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -129.82 136.33 49.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -133.71 107.68 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.517 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -83.02 137.15 34.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.033 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.448 HG23 HG13 ' A' ' 126' ' ' VAL . 39.8 t -141.0 110.44 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.668 -179.821 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.605 ' HB3' HG23 ' A' ' 104' ' ' THR . 6.2 p90 -118.72 152.22 36.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.706 0.289 . . . . 0.0 110.454 178.725 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.473 ' HG ' ' HG1' ' A' ' 96' ' ' THR . 17.4 t -92.05 141.35 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.0 pt -77.35 -28.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.473 ' HG1' ' HG ' ' A' ' 94' ' ' SER . 77.8 p -73.94 -18.47 60.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.751 179.692 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -120.63 102.51 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.87 -16.39 58.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -26.92 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.807 -179.559 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 m -69.11 -53.88 17.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.259 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.52 -36.39 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.225 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.8 p -73.01 -53.85 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.012 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.04 79.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.627 ' HB ' HD23 ' A' ' 91' ' ' LEU . 11.3 p -59.32 -33.19 70.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.041 179.699 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.91 86.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.251 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 13.9 mm-40 -61.94 -48.35 80.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -55.07 -29.01 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.729 -179.45 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -53.03 -49.28 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.29 -26.92 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.404 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.6 mt-30 -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.322 -179.444 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.23 -41.29 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.54 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -25.79 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.018 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -50.59 -50.55 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.188 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 115' ' ' LYS . 9.5 m -69.68 -29.52 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.787 -179.36 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.619 ' HG2' HG22 ' A' ' 114' ' ' VAL . 74.0 mmtt -109.06 39.25 2.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.43 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.749 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.42 -36.28 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 1.9 mp0 -72.81 163.16 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -114.13 -56.04 2.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.478 ' HB2' ' HB2' ' A' ' 183' ' ' GLU . 13.5 mptt -72.06 111.5 7.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.713 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 36.7 mm -121.98 116.15 30.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.5 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.6 Cg_endo -75.57 123.65 7.72 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.34 2.027 . . . . 0.0 112.273 179.641 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.414 ' HB3' HG13 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -146.43 151.09 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.4 -179.769 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' H ' HD22 ' A' ' 123' ' ' LEU . 21.4 tp -156.11 118.91 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.391 179.149 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.511 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -96.34 143.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.615 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 92' ' ' VAL . 3.1 p -144.73 159.65 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.58 111.24 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.051 179.66 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 94' ' ' SER . 28.3 p-10 -83.3 -165.64 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.506 -179.411 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' O ' HD11 ' A' ' 95' ' ' ILE . 29.8 mmtp 59.22 15.96 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -58.59 -19.54 39.32 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.72 -17.57 16.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.633 179.728 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.3 mt -108.14 86.01 2.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -72.6 -29.48 63.54 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.508 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.61 -22.2 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.517 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.529 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.5 mtt180 -99.19 5.8 46.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.7 ttm180 -78.6 109.27 12.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -92.47 -21.53 20.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.489 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 78.7 t -96.09 102.51 10.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.424 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.458 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 22.1 Cg_endo -61.33 128.6 25.44 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.137 1.891 . . . . 0.0 111.178 179.104 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.448 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -52.7 -43.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.75 -179.211 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -54.77 -41.45 70.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -179.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.458 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -75.33 -33.81 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.22 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.347 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 47.7 mtt180 -74.8 -43.01 56.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.4 t -57.53 -44.18 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.541 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.8 tmmm? -74.13 -47.96 32.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.498 ' HB1' HG13 ' A' ' 125' ' ' VAL . . . -54.49 -30.45 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.46 -31.79 72.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -50.93 -48.12 60.85 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.541 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.1 m0 -64.54 -24.31 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.673 179.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.63 15.34 15.46 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.253 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.414 HG13 ' HB3' ' A' ' 123' ' ' LEU . 19.2 m -121.03 167.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.478 . . . . 0.0 112.111 -179.588 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -107.3 131.87 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.025 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.511 ' HD1' HG21 ' A' ' 125' ' ' VAL . 23.0 t80 -96.83 143.21 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.935 0.398 . . . . 0.0 111.145 -179.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.12 154.51 23.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -89.62 148.36 23.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.5 p -153.01 165.19 36.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.7 m -133.77 111.54 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.513 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.42 -1.87 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.015 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.35 -41.25 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.9 p -96.92 -4.27 40.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.971 179.811 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.89 38.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.161 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.19 -55.58 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.818 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -108.65 14.75 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.666 -179.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.511 HG21 HD13 ' A' ' 30' ' ' LEU . 7.7 p -64.56 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.833 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.15 -14.34 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.609 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -60.89 -38.8 86.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.365 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.89 -26.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.89 -48.49 24.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.364 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.74 -49.67 37.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.884 -179.558 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.01 -45.69 79.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.26 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 tp -69.32 -40.04 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.143 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.4 ttp -57.4 -39.98 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.5 -34.81 78.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.729 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -66.91 -25.95 66.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -179.834 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.6 mt -71.58 -54.19 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.8 ptm180 -65.45 -28.73 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.928 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 99.5 m -88.41 -60.46 1.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.157 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 56.0 tttp -71.81 -54.8 9.01 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.086 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.0 tttm -61.15 -48.06 83.36 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.372 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.464 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.4 mmt -63.0 -17.48 62.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.391 -179.499 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 73.0 m -93.4 -12.85 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 120' ' ' LYS . 30.4 tt0 -56.5 125.46 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 179.734 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.903 -179.964 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.41 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' H3 ' ' A' ' 12' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.74 138.9 48.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.6 tt -116.51 112.29 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.64 150.88 24.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.8 125.02 42.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.991 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.14 140.42 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.398 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD13 ' HA3' ' A' ' 86' ' ' GLY . 27.2 mm -103.95 109.18 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.954 179.708 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.596 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 3.4 tpt -65.52 92.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 179.762 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 91' ' ' LEU . 7.5 p -102.14 161.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.335 -179.526 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.65 -156.63 19.41 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.268 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.432 ' HB3' HG23 ' A' ' 25' ' ' VAL . 32.1 t -66.77 -62.07 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.397 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -34.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.326 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.37 43.97 1.17 Allowed Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 93' ' ' PHE . 73.2 t -93.88 -62.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.52 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.251 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.596 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 45.3 mtmt -52.72 -35.61 56.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.7 p -71.92 -30.03 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.96 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -52.47 65.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.726 -179.415 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.463 HD23 HG13 ' A' ' 92' ' ' VAL . 2.1 mm? -61.72 -25.0 67.16 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.211 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 28' ' ' SER . 57.3 m -71.91 -41.5 67.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.09 -45.45 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.74 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' HB2' HG23 ' A' ' 165' ' ' VAL . 16.6 mm100 -56.58 -35.23 67.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -72.92 -25.69 61.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.799 0.333 . . . . 0.0 111.173 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 tpp -82.05 -49.61 10.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.466 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.98 -8.27 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.082 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.92 29.78 19.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.608 -179.605 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -147.31 142.12 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.023 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -89.94 108.3 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -131.99 136.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.91 94.71 0.23 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -131.8 152.55 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -146.01 112.91 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.27 104.34 14.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 139.87 76.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.469 2.113 . . . . 0.0 112.41 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -96.88 129.3 44.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -114.72 -56.39 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.699 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.98 -6.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -80.96 135.79 35.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 m -112.08 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 29.1 m-85 -112.84 150.27 31.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.749 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.93 135.32 35.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -146.31 150.04 34.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.051 -179.474 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.87 126.47 44.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG22 ' HE2' ' A' ' 173' ' ' MET . 34.5 m -139.05 150.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 179.875 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.17 134.0 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.7 tp -130.21 101.34 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.25 31.2 18.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.48 -35.46 5.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.565 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -87.73 114.23 24.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.84 116.83 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.68 148.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.455 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mt-30 -81.18 141.51 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.796 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 tt -114.12 139.81 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.994 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 17.1 t70 -125.94 119.67 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.815 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 HG23 HG22 ' A' ' 31' ' ' THR . 70.9 mt -114.01 126.47 71.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.21 116.41 24.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.66 125.51 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 p -100.78 -25.25 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.02 -169.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.66 103.2 3.0 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.17 -72.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.469 ' HA ' HH21 ' A' ' 79' ' ' ARG . 46.6 mt-10 57.64 -179.81 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 62.79 9.77 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.18 166.67 16.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.92 -54.26 6.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.594 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.14 27.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.508 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.88 -17.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.469 HH21 ' HA ' ' A' ' 73' ' ' GLU . 93.1 mtt180 -54.94 -33.87 62.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.248 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.49 -38.67 63.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 -179.707 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.23 -34.95 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.377 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.281 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' HB2' HG13 ' A' ' 114' ' ' VAL . 76.2 m-85 -74.54 -13.36 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -84.27 -6.75 59.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.327 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -101.62 11.73 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.487 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -141.47 -179.19 18.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.699 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -125.81 -40.73 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.14 162.86 21.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.701 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -136.43 132.19 35.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.6 HD13 HG22 ' A' ' 168' ' ' VAL . 2.1 tt -123.94 105.9 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD13 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -82.89 134.3 35.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG13 HD23 ' A' ' 30' ' ' LEU . 94.7 t -139.78 139.4 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 111.899 -179.926 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.574 ' HB3' HG22 ' A' ' 104' ' ' THR . 6.3 p90 -149.02 163.51 37.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -101.49 144.05 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 179.656 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.541 HG12 ' HB3' ' A' ' 129' ' ' LYS . 29.0 pt -75.69 -32.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.751 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 39.5 p -70.53 -13.57 62.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.793 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -124.62 98.17 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.89 -16.23 58.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.91 -26.04 62.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.227 0.537 . . . . 0.0 110.22 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.51 -53.85 20.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.759 -179.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.29 -35.07 67.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.0 p -72.54 -53.55 11.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.832 -179.622 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.27 80.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.615 ' HB ' HD13 ' A' ' 91' ' ' LEU . 7.3 p -58.04 -31.64 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.92 65.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -66.35 -44.1 84.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 179.662 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -62.86 -25.15 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -48.81 -45.96 41.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.46 -39.4 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.408 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 55.8 mt-30 -59.76 -27.38 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.078 0.466 . . . . 0.0 110.703 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.45 -45.34 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.72 -26.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.527 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.408 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 36.5 mtp180 -52.36 -50.63 61.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.479 HG22 ' HG2' ' A' ' 115' ' ' LYS . 16.8 m -73.93 -41.79 53.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.752 -179.37 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.7 mmtt -96.21 43.97 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.24 -179.665 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.48 -0.34 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -105.25 -36.94 7.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -82.39 143.78 30.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -80.69 -59.88 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.438 ' HD2' ' HZ2' ' A' ' 179' ' ' LYS . 73.7 mmtt -77.62 122.52 25.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.751 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.0 104.0 51.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.94 113.32 1.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.317 2.011 . . . . 0.0 112.298 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.9 tp -139.01 150.92 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 tp -157.46 120.14 3.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.474 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.24 140.43 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.413 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG11 HG12 ' A' ' 168' ' ' VAL . 60.7 t -141.79 147.82 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.429 -179.511 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.42 114.35 1.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.063 179.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -90.51 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.626 0.251 . . . . 0.0 110.546 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.541 ' HB3' HG12 ' A' ' 95' ' ' ILE . 12.0 tptm 65.92 9.77 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.39 -9.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.533 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.52 -5.85 12.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.967 0.413 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.49 HD13 ' HD2' ' A' ' 135' ' ' ARG . 25.7 mt -124.37 88.26 2.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.97 -36.62 67.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.448 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.8 pt-20 -70.71 -20.79 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -179.645 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.49 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.6 mtt180 -105.61 4.55 30.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.24 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -75.73 108.35 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.465 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.07 -32.28 20.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.098 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.0 t -96.09 102.64 11.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.57 135.75 50.82 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.045 1.83 . . . . 0.0 111.287 179.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -50.04 -42.43 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.494 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.45 -47.06 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.686 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.031 -179.832 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.71 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.252 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtt180 -75.74 -35.46 60.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.231 -179.607 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -65.72 -51.64 57.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.401 -179.576 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -45.07 85.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.59 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.408 ' CB ' HG13 ' A' ' 125' ' ' VAL . . . -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.78 -179.543 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -51.98 -32.56 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.251 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -53.29 -42.38 66.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 110.806 179.606 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -67.28 -22.3 65.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.735 179.842 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.74 33.8 4.6 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.19 -176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.15 0.5 . . . . 0.0 111.463 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -125.43 133.77 52.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.477 178.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.474 ' HD1' HG21 ' A' ' 125' ' ' VAL . 33.8 t80 -95.12 139.02 32.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.081 0.467 . . . . 0.0 111.717 -178.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.14 154.16 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.91 146.98 24.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.044 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 37.2 p -148.46 167.21 25.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.204 0.526 . . . . 0.0 112.075 -179.026 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 p -149.02 109.44 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.386 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.17 1.34 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.519 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -98.4 -48.27 5.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.9 p -96.15 2.2 52.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.247 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? 33.2 45.63 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.004 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -55.94 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.963 -179.538 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -111.73 13.84 21.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.62 -179.398 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.499 HG23 ' HB2' ' A' ' 33' ' ' GLN . 9.7 p -60.79 -40.85 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.661 0.267 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.99 -30.84 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 179.434 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -55.08 -32.9 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.92 -179.355 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 90' ' ' LEU . 3.2 m -74.88 -33.46 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.299 . . . . 0.0 111.678 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -75.41 -42.27 54.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.813 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -71.89 -39.15 69.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.86 -46.87 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.09 -32.55 73.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.477 ' HE2' HG22 ' A' ' 55' ' ' VAL . 48.7 ttm -57.33 -42.09 81.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.999 -179.854 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.68 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 17.5 mm-40 -60.14 -52.59 64.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.509 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 59.6 mt -57.39 -31.95 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.5 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 1.4 mmp_? -70.44 -60.62 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.4 m -86.27 -59.12 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.562 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.438 ' HZ2' ' HD2' ' A' ' 120' ' ' LYS . 57.0 tttp -57.81 -54.02 51.67 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.718 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.509 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 2.0 tmtp? -63.46 -49.99 71.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.578 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.3 mmt -71.33 -12.48 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.61 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.6 t -58.73 -61.23 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 0.0 110.509 179.652 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 51.59 93.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -64.91 171.78 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.476 179.789 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 59.0 tttp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.009 -179.88 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.417 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.623 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 8.9 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.853 0.359 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.91 171.17 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -138.51 103.43 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -104.37 121.03 42.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -102.91 111.39 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.243 -179.638 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.33 132.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.562 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.6 mm -104.86 115.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.545 -179.558 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -72.03 88.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.016 179.494 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -95.84 155.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.56 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.23 -159.41 21.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.121 -179.7 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.9 p -68.36 -42.17 79.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.82 32.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.477 -179.763 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.13 47.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.7 t -106.29 -53.29 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 111.025 179.873 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.74 34.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 89.4 mttt -46.67 -44.2 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 31' ' ' THR . 94.0 p -74.07 -29.39 61.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.318 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.48 -52.44 65.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.936 -179.118 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 HD13 HG23 ' A' ' 165' ' ' VAL . 2.9 mm? -64.02 -25.28 68.05 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.206 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 28' ' ' SER . 91.5 m -68.75 -43.16 76.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.19 -35.86 71.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.678 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.2 mm100 -67.1 -29.7 69.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.079 -179.668 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.45 -50.46 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.945 -179.824 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.564 ' HE1' ' HB3' ' A' ' 51' ' ' TYR . 51.8 ttm -82.09 -50.04 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.165 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.06 -25.45 24.18 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.3 t70 57.96 33.37 23.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.183 0.516 . . . . 0.0 109.978 -179.32 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.55 131.57 17.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.68 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -75.43 106.66 7.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.65 154.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.599 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.17 -90.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 47.11 89.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 111.502 -179.864 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -110.82 152.18 26.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -156.63 131.82 5.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.6 128.74 17.6 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.505 2.137 . . . . 0.0 112.126 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 m -67.82 121.99 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.022 -179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -124.05 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.12 -11.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.47 129.08 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.113 -179.783 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 p -122.06 161.41 23.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' HB3' ' HE1' ' A' ' 35' ' ' MET . 54.8 m-85 -93.79 157.63 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -142.46 139.8 31.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.638 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -157.07 143.81 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.013 -179.829 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 98.0 mttt -103.31 118.67 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.92 146.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.1 p -72.72 139.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.793 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -131.02 99.03 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.925 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 56.41 30.74 17.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.69 -39.81 2.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.791 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.23 115.67 28.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 tt0 -73.16 127.12 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.288 -179.82 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 161.35 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.79 179.509 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.524 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 20.5 mt-30 -97.61 157.23 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 tt -131.55 137.83 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -119.95 117.18 27.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG23 HG21 ' A' ' 31' ' ' THR . 67.3 mt -116.49 133.5 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.594 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' HB3' HG21 ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.83 134.04 52.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 179.488 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -50.76 -39.65 52.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 67' ' ' LEU . 74.9 p 48.99 94.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.826 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.44 168.66 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 179.707 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.12 90.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.438 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mp -57.98 -72.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.643 0.258 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 57.48 14.31 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -135.37 -13.9 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -134.69 93.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.933 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.05 -16.87 59.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.494 -179.832 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.0 -28.8 14.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.705 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.7 mt -81.17 -27.24 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 0.0 111.387 -179.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -58.84 -29.86 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.15 -31.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.65 -34.78 67.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.397 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -74.67 -35.54 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.7 -23.44 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.823 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -80.71 -29.72 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.0 m -85.33 -3.32 58.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -118.61 165.26 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.605 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -112.25 -52.85 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.473 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.39 159.23 33.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.524 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -137.83 133.04 33.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 124' ' ' LEU . 23.6 mt -127.6 105.05 8.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 179.618 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.601 HD12 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.8 123.27 29.19 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.161 179.601 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.4 t -126.75 130.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.939 -179.164 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.617 ' HB3' HG22 ' A' ' 104' ' ' THR . 10.6 p90 -147.15 149.96 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.243 178.57 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -90.71 154.27 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.589 HG12 ' HB3' ' A' ' 129' ' ' LYS . 23.7 pt -78.34 -37.73 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.294 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.409 ' N ' HG13 ' A' ' 95' ' ' ILE . 40.4 p -65.26 -22.82 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.404 -179.773 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.25 95.25 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.22 -16.15 59.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.405 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -73.32 -27.3 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -178.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 80.6 p -70.22 -53.46 16.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.17 -38.3 57.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 69.7 p -72.25 -53.61 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.806 -179.393 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.56 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 93' ' ' PHE . 20.6 p -57.94 -31.95 67.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.305 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.824 179.68 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.86 -44.34 90.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 179.801 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -58.84 -27.38 65.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -55.83 -44.35 77.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 179.637 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.93 -36.58 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.463 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 58.1 mm-40 -59.82 -28.66 67.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.049 0.452 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.19 -41.81 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.98 -26.45 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.954 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.463 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.3 mmm180 -50.52 -50.63 52.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.809 0.337 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG22 ' HG2' ' A' ' 115' ' ' LYS . 15.1 m -70.57 -21.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.7 mmtt -110.63 45.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.614 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.54 -37.53 27.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.08 -39.23 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 63.45 141.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.621 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -172.11 -60.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 179.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 73.1 mmtt -145.41 93.85 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mm -99.85 103.8 24.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.434 -179.183 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.473 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 96.8 Cg_endo -81.59 123.41 4.28 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.377 2.051 . . . . 0.0 112.128 179.427 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 61.9 tp -142.45 160.42 40.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 111.332 -179.571 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.474 ' HB3' HD22 ' A' ' 90' ' ' LEU . 52.5 tp -161.65 131.83 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.202 179.235 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 154' ' ' TYR . 3.9 p -107.25 144.33 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 112.044 -178.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.509 ' HB ' HG11 ' A' ' 168' ' ' VAL . 3.5 p -139.58 152.01 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.7 104.34 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.817 179.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 157' ' ' THR . 28.1 p-10 -83.67 -167.4 1.7 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.261 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.589 ' HB3' HG12 ' A' ' 95' ' ' ILE . 35.4 tptt 67.27 9.52 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.8 t -59.66 -12.12 6.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.469 -179.468 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -12.8 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.594 179.715 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 35.9 mt -118.13 88.27 2.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.73 -32.19 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.355 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.22 -14.15 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.491 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 29.0 mtp180 -109.72 11.61 24.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.162 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.5 ttm105 -75.77 111.48 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 0.0 110.723 179.839 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -89.98 -20.31 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.18 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.01 99.49 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.355 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.418 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 18.4 Cg_endo -59.86 135.25 62.13 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.193 1.929 . . . . 0.0 111.373 179.078 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.56 -43.54 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.741 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.8 -49.4 71.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.499 -179.541 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.418 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 43.8 tt0 -68.28 -31.49 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.37 -28.89 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.449 -179.75 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.4 mtt180 -76.21 -38.34 56.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.0 t -64.09 -36.18 83.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.506 -179.332 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -45.7 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.878 -179.565 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.451 ' HB3' HG11 ' A' ' 125' ' ' VAL . . . -63.29 -39.44 94.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.6 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.73 -32.84 63.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -52.47 -46.03 66.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.02 -28.77 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.83 30.32 3.27 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.478 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.6 165.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.462 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -106.99 127.36 53.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.458 ' HA ' HG12 ' A' ' 125' ' ' VAL . 36.6 t80 -94.96 143.1 26.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.88 153.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.58 -179.744 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.84 138.69 31.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.287 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.595 HG21 ' HB2' ' A' ' 164' ' ' ASN . 73.9 p -145.97 168.25 21.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.401 . . . . 0.0 111.444 -179.408 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -132.26 110.43 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.455 179.548 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.15 0.39 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.519 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -99.83 -41.89 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.403 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 53.2 p -91.22 -3.69 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.843 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.403 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.2 ppt_? 36.13 38.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.976 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.8 -56.04 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.869 -179.458 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.595 ' HB2' HG21 ' A' ' 157' ' ' THR . 62.9 m-20 -112.12 20.4 16.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.578 -179.45 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.519 HG23 HD13 ' A' ' 30' ' ' LEU . 6.9 p -67.37 -40.48 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.627 0.251 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.65 -14.78 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.363 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 20.1 ttmm -59.54 -37.3 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.509 HG11 ' HB ' ' A' ' 126' ' ' VAL . 25.1 m -75.72 -26.77 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.418 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -74.01 -48.48 29.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.29 -40.67 67.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.753 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.37 -51.82 67.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.434 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.7 tp -67.92 -33.18 74.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.8 ttm -54.11 -51.48 64.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.819 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.12 -34.51 78.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.68 -31.06 71.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.462 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 80.9 mt -72.78 -55.12 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.388 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.28 -26.39 68.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.045 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.3 m -87.91 -59.79 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.304 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.409 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 81.5 tttt -71.21 -54.23 11.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.144 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 53.7 tptt -59.0 -55.68 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.455 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.0 mmt -63.04 -16.51 60.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.689 -179.344 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.0 t -61.76 -61.09 2.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.671 0.272 . . . . 0.0 110.974 -179.763 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.55 17.43 3.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -83.13 123.36 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.952 -179.853 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.64 ' H1 ' HD12 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 159.5 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.2 tt -136.26 119.61 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 -179.899 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -107.87 151.97 25.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 54.3 mttp -129.81 110.27 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.539 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.49 126.88 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.602 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -108.44 114.63 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.253 -179.834 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.549 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 91.3 mmm -65.95 91.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.6 p -100.72 166.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -179.731 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.1 -151.96 10.73 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HB3' HG21 ' A' ' 104' ' ' THR . 58.9 p -72.64 -37.37 68.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.105 0.479 . . . . 0.0 110.474 179.812 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.48 -28.0 3.18 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.034 -179.724 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.87 74.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.299 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.4 t -134.94 -48.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.739 0.304 . . . . 0.0 111.256 -179.695 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.51 44.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.759 179.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 16.9 ptpt -55.01 -25.17 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 179.769 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -82.75 -29.39 29.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.3 -52.2 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.025 -178.693 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' HB2' ' HE2' ' A' ' 19' ' ' MET . 1.8 mm? -62.54 -24.7 67.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.315 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 28' ' ' SER . 51.2 m -70.61 -45.67 64.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -70.08 -29.43 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.66 -179.25 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' HB2' HG12 ' A' ' 165' ' ' VAL . 12.7 mm100 -74.84 -37.94 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.03 -40.56 65.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.549 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 68.4 mtp -82.23 -50.06 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -178.332 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -103.04 -24.41 13.63 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.8 m-20 62.3 35.54 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.061 -179.132 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.85 131.39 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.603 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.51 111.71 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG13 ' H ' ' A' ' 42' ' ' ASP . 18.9 t -125.84 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.8 -23.07 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.295 -179.674 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.645 ' H ' HG13 ' A' ' 40' ' ' VAL . 20.4 t70 -66.03 156.59 33.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.278 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -157.81 149.52 21.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -128.39 147.18 62.78 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.149 -179.847 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.12 157.96 53.1 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.772 2.315 . . . . 0.0 112.191 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.419 HG21 ' H ' ' A' ' 48' ' ' ALA . 62.4 m -83.11 110.88 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -88.36 35.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.419 ' H ' HG21 ' A' ' 46' ' ' THR . . . 64.15 11.83 6.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.261 -179.857 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.61 128.38 45.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.8 m -94.8 158.49 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -100.14 142.59 31.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.3 179.727 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 37.0 ttm180 -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.208 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.2 164.9 37.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -93.01 124.72 37.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.81 150.16 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.317 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 36.3 t -97.16 143.64 12.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 tp -143.3 108.31 4.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 54.67 30.87 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.0 -39.36 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.598 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.33 115.92 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.423 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.9 tt0 -84.9 115.81 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.684 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.89 154.68 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.508 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt-30 -89.38 143.71 26.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 17.2 tt -113.82 145.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.586 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.6 t70 -129.18 121.23 27.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.975 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.8 mt -119.63 140.13 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -143.51 122.42 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.1 144.2 25.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.9 p -108.31 -40.56 5.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.97 -172.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.236 179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.07 98.3 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.445 179.801 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.573 HD11 ' HD3' ' A' ' 79' ' ' ARG . 97.4 mt -81.36 11.06 4.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 62.84 6.15 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 179.709 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 64.06 132.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 111.667 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -146.64 -162.36 1.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.133 179.747 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.59 -54.28 39.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.678 -179.605 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.3 23.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.309 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.7 mt -56.91 -23.63 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.573 ' HD3' HD11 ' A' ' 72' ' ' LEU . 32.2 mmt180 -60.26 -48.13 83.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.697 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.25 -35.0 77.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.35 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.564 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -54.43 -35.94 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.547 -179.649 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -76.84 -38.48 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.274 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -67.33 -19.76 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 79.8 mtm180 -72.56 -38.95 67.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.707 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.0 p -77.77 2.07 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.67 166.76 12.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 179.774 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 18.1 mm-40 -113.44 -69.98 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.537 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.75 158.56 32.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -124.7 143.02 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.511 HD11 HG21 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -126.94 104.69 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 104' ' ' THR . 16.6 tp -82.46 127.61 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.735 -179.836 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.424 HG21 ' HE3' ' A' ' 19' ' ' MET . 48.4 t -136.85 140.8 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.757 179.95 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.604 ' HB3' HG23 ' A' ' 104' ' ' THR . 22.4 p90 -146.26 171.76 14.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.636 179.206 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.517 ' HG ' HG12 ' A' ' 25' ' ' VAL . 68.1 m -105.12 129.68 53.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 pt -63.55 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.463 HG21 ' HG2' ' A' ' 97' ' ' GLU . 9.7 t -86.15 -14.17 44.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 11.9 mm-40 -113.51 94.09 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -62.74 -16.76 59.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.55 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 m -75.64 -53.64 8.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.6 -179.125 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -52.35 -32.93 40.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -179.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.84 -54.53 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.721 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.87 -36.68 84.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.043 -179.552 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -53.02 -37.94 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.131 0.491 . . . . 0.0 110.53 179.56 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.95 -30.84 61.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.649 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.97 -30.72 67.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.44 -24.64 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.696 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 111' ' ' ILE . 31.9 mtp-105 -49.64 -37.4 28.12 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.865 0.365 . . . . 0.0 111.032 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.2 -36.9 82.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -71.02 -26.82 63.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 110.307 179.603 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 108' ' ' ARG . 91.9 mt -69.81 -37.39 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.07 -26.25 65.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -50.73 -51.59 48.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.79 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.599 HG22 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -65.35 -33.98 67.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.599 ' HG2' HG22 ' A' ' 114' ' ' VAL . 74.4 mmtt -109.96 57.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.142 179.203 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.79 -41.31 32.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.589 -179.487 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.48 -48.18 74.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.916 0.388 . . . . 0.0 110.456 179.438 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 54.92 97.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.665 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.21 -45.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.009 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 72.4 mmtt -148.16 77.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.129 179.394 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 16.7 mm -81.39 108.45 10.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.798 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.537 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 87.0 Cg_endo -83.49 104.05 1.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.039 . . . . 0.0 112.22 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 41.5 tp -116.39 163.1 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.661 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.9 tp -158.63 121.22 3.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.165 179.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.661 HG11 ' HB2' ' A' ' 147' ' ' ALA . 5.3 p -99.69 139.78 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.12 0.486 . . . . 0.0 111.634 -179.109 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.507 HG13 HG12 ' A' ' 168' ' ' VAL . 11.8 t -144.31 150.38 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.29 179.581 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.87 124.55 5.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.608 -179.755 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.44 -164.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' HB3' HD12 ' A' ' 132' ' ' LEU . 34.4 mmtp 56.07 20.35 4.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.79 -179.744 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.3 m -61.23 -17.06 51.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -79.52 12.94 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 36.7 mt -123.48 79.28 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.99 -20.07 61.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.317 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -91.56 -38.89 12.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.228 -179.729 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.436 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.6 mtt180 -81.93 2.14 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.386 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.3 ttm180 -64.61 107.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.16 -32.85 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.075 179.473 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.71 111.79 63.77 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.433 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.01 124.71 14.43 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 121.891 1.728 . . . . 0.0 111.546 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.8 p -49.78 -40.03 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.763 -179.589 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.23 -47.54 76.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.824 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.99 -30.42 67.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.93 -28.6 64.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.773 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.1 mtt180 -73.75 -34.79 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.191 -179.757 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -65.58 -46.3 79.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.338 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.452 ' NZ ' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.09 -46.34 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.638 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.661 ' HB2' HG11 ' A' ' 125' ' ' VAL . . . -55.97 -48.83 75.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.903 -179.303 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -50.95 -31.72 18.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 151' ' ' GLY . 9.8 mm-40 -52.66 -42.06 64.37 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.628 0.251 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.452 ' NE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.6 m0 -71.62 9.49 0.84 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.79 25.7 75.02 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.623 179.726 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 150' ' ' TRP . 31.3 m -126.17 154.33 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.34 -179.915 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -95.35 128.73 42.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.801 178.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.533 ' HB2' HG12 ' A' ' 125' ' ' VAL . 36.1 t80 -95.11 128.32 41.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.94 154.35 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.539 -179.415 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.48 136.27 33.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 48.5 p -141.64 172.62 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.403 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 56.4 m -148.63 110.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.375 179.729 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.447 -179.6 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -99.26 -38.96 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 47.7 p -97.5 -4.12 38.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.569 -179.641 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 2.6 ppt_? 35.04 39.26 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.496 0.498 . . . . 0.0 111.866 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.12 4.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.211 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -112.03 10.02 20.41 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.246 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 168' ' ' VAL . 59.8 t -64.44 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.31 -14.48 61.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 179.405 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -76.97 -30.74 56.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.835 -179.222 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.511 HG21 HD11 ' A' ' 90' ' ' LEU . 3.5 m -72.88 -30.06 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.532 -179.273 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.84 -44.77 47.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -71.74 -30.52 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.259 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.54 -53.89 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.9 -32.06 73.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.692 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.16 -37.14 64.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.36 -37.0 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.72 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 62.5 mt -58.65 -32.27 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -73.53 -54.93 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.901 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.3 m -87.59 -59.33 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.679 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.4 tttp -57.44 -54.16 49.96 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.493 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.572 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.4 ttmm -64.38 -51.84 61.25 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.738 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 56.0 mtt -64.63 -13.46 53.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.674 -179.258 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 5.6 m -66.55 -61.13 2.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.701 0.286 . . . . 0.0 110.744 179.65 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 42.9 mt-10 60.39 109.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.351 179.74 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -76.96 -11.36 59.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.676 179.798 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.427 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.614 ' H2 ' HD11 ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.59 171.72 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.233 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -139.51 106.58 5.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -105.64 152.68 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 94.3 mttt -127.89 131.49 49.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.57 132.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.375 . . . . 0.0 111.279 179.726 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -110.77 112.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.538 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 97.4 mmm -67.81 95.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.752 179.671 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.3 p -101.29 159.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.705 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 20' ' ' VAL . . . -175.4 -160.54 23.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.699 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 26.1 t -61.1 -46.19 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.17 -6.31 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.382 -179.72 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.77 54.52 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.216 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG21 ' HA ' ' A' ' 93' ' ' PHE . 52.5 t -114.6 -35.53 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.623 0.249 . . . . 0.0 111.4 -179.669 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.21 50.71 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.745 179.715 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.58 -35.6 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.109 0.481 . . . . 0.0 110.638 179.864 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.514 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -67.29 -29.05 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.137 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.15 -52.57 64.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.203 -178.893 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -62.13 -25.06 67.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.0 m -68.88 -48.58 63.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.565 -179.563 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.94 -30.73 67.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.622 -179.599 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 162' ' ' ARG . 29.0 mm-40 -71.93 -31.69 66.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.92 -39.22 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 179.717 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -82.59 -49.76 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.271 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 -26.3 12.23 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.137 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.63 30.7 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.084 0.469 . . . . 0.0 110.193 -179.325 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -134.89 127.45 30.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.379 -179.65 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.47 116.84 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.77 139.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.867 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.95 97.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -166.36 126.86 1.68 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -152.73 147.89 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.02 147.51 61.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.963 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.12 150.59 64.42 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.572 2.181 . . . . 0.0 112.398 -179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.1 m -94.79 104.73 16.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -102.87 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.783 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.38 3.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -76.19 127.84 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -111.62 162.12 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 45.7 m-85 -109.37 138.18 46.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.679 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -137.29 142.97 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -163.61 136.78 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -80.33 121.29 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.211 -179.749 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -137.27 138.07 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.7 p -81.87 144.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 111.329 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 tp -137.15 108.06 6.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 56.37 30.92 17.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.35 -36.89 3.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.436 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -85.92 116.31 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 34.6 tt0 -82.77 132.88 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -179.809 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.4 153.68 22.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 179.746 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.63 129.51 37.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 tt -105.54 137.45 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.519 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.8 t70 -121.98 113.6 19.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.395 179.621 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.28 140.7 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.659 -179.337 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -133.27 99.17 4.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.69 132.27 53.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 -179.978 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.6 p -125.0 126.09 44.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.88 -166.18 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.0 90.94 0.03 OUTLIER Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.254 179.757 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.7 -6.33 56.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 111.371 -179.617 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.75 78.97 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.63 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -168.12 -43.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.719 -179.79 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -72.37 166.95 21.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.8 -51.6 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.044 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.94 -3.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.67 -23.2 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 179.474 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -66.55 -46.14 77.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.781 179.426 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.44 -30.82 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.503 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 27.5 t-20 -52.41 -37.34 56.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.319 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -73.08 -39.76 65.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.602 ' HB3' HG22 ' A' ' 114' ' ' VAL . 2.3 m-85 -63.48 -26.59 68.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.566 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 76.9 mtm180 -83.63 -11.63 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.476 -179.671 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -84.38 -12.65 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.138 -179.628 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.21 161.83 22.0 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 33.8 mt-10 -100.75 -37.85 8.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.711 179.918 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.605 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -95.23 157.5 22.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.298 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -132.09 142.92 49.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.552 HD13 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -134.1 105.88 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.744 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.614 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.88 134.79 35.07 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.526 HG13 HD21 ' A' ' 30' ' ' LEU . 48.4 t -138.43 139.61 41.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.497 179.933 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.531 ' HA ' HG21 ' A' ' 25' ' ' VAL . 13.3 p90 -147.99 145.02 28.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.775 179.166 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.7 t -83.01 145.19 29.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 23.9 pt -78.06 -33.81 18.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.658 179.623 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.539 ' HG1' ' HZ3' ' A' ' 129' ' ' LYS . 22.7 p -66.55 -17.63 64.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.419 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -119.34 100.46 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.03 -17.02 61.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.0 -26.27 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 110.489 -179.619 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 35.1 m -66.24 -53.94 31.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.277 -179.503 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -56.57 -39.58 73.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.519 -179.806 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.7 p -72.65 -53.46 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -179.296 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.13 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.282 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.614 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.0 p -54.65 -31.05 56.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.496 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.03 80.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.027 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.5 -42.86 97.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.707 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.96 -27.74 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.327 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -48.66 -49.44 37.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.68 -40.33 73.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -58.13 -28.72 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.81 -26.53 66.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.38 -179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -60.46 -50.44 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.565 -179.611 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 83' ' ' PHE . 4.4 m -68.87 -17.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.65 -179.565 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.8 mmtt -125.07 38.69 4.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.788 179.811 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.62 -20.0 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.6 mm-40 -95.94 142.45 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.77 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.38 -64.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.757 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.7 111.22 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mm -113.21 106.67 54.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.605 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 45.0 Cg_endo -67.02 111.99 2.37 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 0.0 112.221 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.1 tp -127.69 152.51 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' HB2' HD12 ' A' ' 172' ' ' LEU . 28.6 tp -154.54 116.87 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.129 179.581 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.524 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -92.82 138.24 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.453 -179.244 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.517 HG13 HG12 ' A' ' 168' ' ' VAL . 15.3 t -141.84 155.3 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.418 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -113.83 136.01 12.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.06 179.528 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -105.1 -179.38 3.93 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.539 ' HZ3' ' HG1' ' A' ' 96' ' ' THR . 1.8 tppp? 58.19 20.97 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.662 -179.829 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -64.96 -8.21 14.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.29 -8.74 26.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.505 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.36 77.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -72.64 -20.06 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.24 -20.77 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.102 -179.868 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -107.57 1.8 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.3 ttm180 -64.93 108.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -83.47 -32.82 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.235 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.63 108.26 26.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.02 125.36 15.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 121.986 1.79 . . . . 0.0 111.205 179.235 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.37 -42.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.546 -179.439 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.23 -49.24 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.387 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.54 -27.27 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.455 179.716 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.05 -28.76 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 66.5 mtm180 -77.31 -42.58 36.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.1 t -56.76 -47.62 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.374 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.505 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.5 tmmm? -66.57 -48.41 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.433 ' HB1' HG12 ' A' ' 125' ' ' VAL . . . -53.15 -38.4 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.564 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.69 -31.79 72.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.63 -39.53 50.65 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.828 0.346 . . . . 0.0 110.831 179.761 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.505 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 41.2 m0 -73.27 -27.88 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.56 18.17 8.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.088 -179.656 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.87 -175.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.074 0.464 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.87 129.79 51.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.281 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.8 t80 -94.82 143.43 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 111.25 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.49 155.03 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.15 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.29 147.16 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -150.49 149.75 30.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.985 0.421 . . . . 0.0 111.625 -179.508 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.9 m -115.79 110.03 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.46 179.609 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.83 -1.1 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.455 -179.815 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -96.52 -39.44 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.8 p -97.1 -6.1 35.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.471 ' HB3' ' HB3' ' A' ' 33' ' ' GLN . 6.4 ppt_? 34.83 39.2 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.863 -179.731 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -55.22 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.854 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -110.35 14.73 22.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.945 -179.005 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.491 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.61 -41.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.281 -179.806 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.44 -25.04 60.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.11 -31.49 68.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.72 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.552 HG21 HD13 ' A' ' 90' ' ' LEU . 3.4 m -79.17 -29.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.672 0.272 . . . . 0.0 111.386 -179.567 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -73.06 -43.39 62.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.475 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.14 -41.01 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.735 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.84 -47.85 79.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 124' ' ' LEU . 58.0 tp -66.2 -34.96 79.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 52.4 ttm -57.54 -37.56 73.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.1 -34.71 76.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.12 -48.58 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.8 mt -57.89 -32.18 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 173' ' ' MET . 78.3 mtp180 -74.98 -50.82 15.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.945 -179.358 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.4 m -87.34 -58.9 2.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.488 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.75 -54.18 48.34 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.53 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.9 tttp -63.05 -56.03 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.44 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.49 -12.68 33.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 178' ' ' THR . 42.5 t -65.62 -60.94 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.736 0.303 . . . . 0.0 111.02 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 58.55 178.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.26 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 63.67 145.9 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.444 -179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.941 179.84 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.651 ' H3 ' HD11 ' A' ' 12' ' ' LEU . 6.9 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.32 148.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -123.51 111.96 16.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -111.81 136.05 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 179.862 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 99.7 mttt -109.39 115.34 29.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.6 130.16 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -110.55 131.84 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.616 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 90.8 mmm -78.22 82.12 4.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.557 179.588 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 21' ' ' GLY . 14.1 p -85.37 158.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 20' ' ' VAL . . . 176.48 -161.13 29.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.823 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB3' HG22 ' A' ' 104' ' ' THR . 59.8 p -63.54 -45.08 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.22 -45.11 0.88 Allowed Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.059 -179.658 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.19 86.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.138 -0.554 . . . . 0.0 111.932 179.604 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG21 ' HA ' ' A' ' 93' ' ' PHE . 19.7 t -134.74 -59.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.35 -179.354 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.68 46.52 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.131 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.616 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -61.32 -45.09 95.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.52 -179.652 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 17.0 p -50.96 -29.45 12.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.283 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.76 -52.72 63.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.186 -179.028 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.533 HD23 HG21 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -63.02 -25.06 68.21 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.552 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.615 HG21 ' HB3' ' A' ' 68' ' ' ASP . 43.9 m -70.2 -42.66 72.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.358 -179.83 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.3 -31.37 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.424 -179.729 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.57 HE21 ' HB3' ' A' ' 162' ' ' ARG . 9.8 mm100 -72.8 -27.82 62.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 111.382 -179.458 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -73.18 -47.78 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 0.0 111.31 179.716 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.465 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 52.5 tpp -82.14 -49.4 10.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.676 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -91.59 -29.93 16.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.231 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 59.36 36.89 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.219 0.533 . . . . 0.0 109.963 -179.074 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -148.45 128.49 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.294 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -77.87 112.37 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.2 p -145.23 148.66 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.18 8.42 2.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 40' ' ' VAL . 17.6 t70 -67.01 150.45 49.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.786 179.894 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -150.83 151.26 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -134.97 116.52 12.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.44 147.61 56.58 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.249 1.966 . . . . 0.0 111.959 179.807 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.519 ' HB ' ' HB ' ' A' ' 69' ' ' THR . 86.3 m -134.78 125.45 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.328 -179.791 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -116.02 -30.44 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.398 179.483 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.61 4.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.207 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.55 135.74 39.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.487 ' HB2' HD23 ' A' ' 67' ' ' LEU . 24.4 t -128.08 176.77 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.244 -179.661 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 53.8 m-85 -96.27 155.6 16.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 179.878 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -151.04 129.77 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.969 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -153.04 169.94 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.486 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 94.7 mttt -109.84 131.72 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.278 -179.813 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.8 m -139.47 138.56 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.623 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -83.74 144.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.502 HD12 ' HE3' ' A' ' 173' ' ' MET . 19.4 mt -133.21 94.99 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.81 179.843 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.24 30.58 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.91 -56.21 0.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.319 179.491 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -79.92 121.98 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 112.029 -179.155 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.623 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.6 tt0 -88.76 114.48 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.634 179.66 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.33 149.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.49 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.486 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.7 mt-30 -88.05 153.99 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.27 142.47 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.18 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.3 t70 -118.12 118.81 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 70.6 mt -109.94 111.31 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 111.642 -179.641 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 50' ' ' SER . 2.2 tm? -92.83 110.45 21.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.031 179.662 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.615 ' HB3' HG21 ' A' ' 31' ' ' THR . 6.9 p-10 -94.65 -172.09 2.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.624 -179.178 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.519 ' HB ' ' HB ' ' A' ' 46' ' ' THR . 92.4 m 63.63 101.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' H ' ' H2 ' ' A' ' 502' ' ' HOH . . . -79.14 -87.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.79 27.21 19.52 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.013 -179.611 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.536 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 63.0 mt -80.26 -1.06 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.527 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.85 5.01 38.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -107.17 -42.03 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.453 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 74.4 m-85 -70.38 127.64 33.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -179.742 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.41 -7.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.352 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.453 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 26.5 mt -68.85 -19.41 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.536 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 39.5 ptt180 -61.9 -31.52 71.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.925 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -50.21 -36.88 32.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -46.83 74.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.539 179.793 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.6 -28.22 41.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -86.76 9.18 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.06 155.45 21.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.599 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.8 -71.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -83.04 156.94 34.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.281 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -127.87 135.79 50.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.695 0.283 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.468 HD23 ' SD ' ' A' ' 19' ' ' MET . 24.7 tp -120.93 106.42 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 179.855 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD12 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.9 -179.605 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.583 HG22 HG13 ' A' ' 126' ' ' VAL . 12.6 p -110.91 132.96 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.548 ' HA ' HG21 ' A' ' 25' ' ' VAL . 1.2 p90 -136.24 178.09 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 178.851 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.414 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -110.89 131.57 54.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.445 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 39.2 pt -69.67 -29.5 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.249 179.109 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.2 p -70.33 -15.76 62.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.624 179.283 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 44.1 mt-10 -124.63 96.65 4.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -61.77 -16.01 46.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.756 179.707 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.423 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 15.3 pt-20 -72.42 -26.38 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.659 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.0 m -68.34 -53.49 23.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.65 -179.428 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.69 -35.46 61.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.411 . . . . 0.0 111.715 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 p -72.02 -53.33 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.817 -179.182 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.44 -34.54 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.952 -179.779 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.566 ' HB ' HD12 ' A' ' 91' ' ' LEU . 12.3 p -58.81 -31.08 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 110.111 179.336 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.21 75.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.02 -43.87 91.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.443 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.76 -27.34 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -53.09 -45.47 68.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.85 -34.77 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.672 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -64.04 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.23 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.34 -40.23 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.58 -30.66 70.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.21 -49.63 59.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.267 -179.71 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.73 -13.3 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.339 -179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.06 41.95 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.43 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.321 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.52 142.03 29.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -95.78 -51.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 0.9 OUTLIER -78.81 96.25 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.992 -179.86 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.96 109.05 42.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.51 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 56.4 Cg_endo -69.22 118.46 5.69 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.547 2.165 . . . . 0.0 112.885 -179.491 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.89 165.76 21.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.818 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 90' ' ' LEU . 29.2 tp -169.05 110.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.536 178.42 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.52 HG23 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -88.54 142.78 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.51 -178.804 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.583 HG13 HG22 ' A' ' 92' ' ' VAL . 11.5 p -152.28 149.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.07 114.96 2.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.146 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -79.42 -162.55 0.42 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.787 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.405 ' O ' HD13 ' A' ' 95' ' ' ILE . 73.1 mmtt 60.96 14.14 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.469 ' HA ' HH21 ' A' ' 136' ' ' ARG . 71.4 m -56.49 -15.14 3.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.427 -179.731 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.2 6.9 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.727 179.442 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.468 HD11 ' HD2' ' A' ' 135' ' ' ARG . 71.3 mt -128.71 77.94 1.81 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.5 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -73.15 -15.0 61.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.43 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.7 pt-20 -91.14 -10.6 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.086 -179.864 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.468 ' HD2' HD11 ' A' ' 132' ' ' LEU . 97.1 mtt180 -116.22 1.95 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.5 HH12 ' HG2' ' A' ' 133' ' ' GLU . 45.3 ttm105 -70.86 108.74 4.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 110.267 179.508 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -93.65 -27.23 16.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.483 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -94.84 109.18 42.52 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.453 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 133.26 50.34 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.154 1.903 . . . . 0.0 111.455 179.153 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -53.79 -47.87 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -58.38 -48.3 81.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.66 0.267 . . . . 0.0 110.918 -179.503 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.42 -35.74 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.307 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.31 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.598 179.626 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 86.4 mtt180 -74.49 -37.73 63.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.864 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -60.6 -41.88 95.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.451 -179.419 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -48.35 20.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.0 -179.581 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.416 ' CB ' HG13 ' A' ' 125' ' ' VAL . . . -61.5 -30.44 70.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.38 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.53 -32.01 72.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 -179.458 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.52 -46.11 63.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 179.381 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -68.22 -23.04 64.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 179.453 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.97 12.29 24.33 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.28 170.14 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.321 0.581 . . . . 0.0 112.335 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.71 157.72 20.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.838 179.084 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.52 ' HD1' HG23 ' A' ' 125' ' ' VAL . 31.2 t80 -118.84 141.51 48.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.514 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.01 153.87 30.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.238 179.881 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -93.47 140.32 29.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 77.5 p -145.25 163.76 33.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.081 0.467 . . . . 0.0 111.745 -179.614 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.5 p -141.27 110.28 6.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.595 179.572 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . 0.401 ' HA ' HG22 ' A' ' 165' ' ' VAL . . . -59.81 -21.15 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.496 -179.792 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.9 -55.65 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.603 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -89.6 0.61 56.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.484 -179.482 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.57 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.0 ppt_? 33.62 41.41 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.549 0.531 . . . . 0.0 111.944 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.22 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.193 -179.26 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 167' ' ' LYS . 2.9 m-20 -111.84 19.6 17.81 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.241 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.418 HG13 ' HB2' ' A' ' 33' ' ' GLN . 90.9 t -66.76 -49.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.731 0.3 . . . . 0.0 110.683 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -71.68 -14.3 62.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.49 ' HZ1' ' HB2' ' A' ' 167' ' ' LYS . 0.0 OUTLIER -61.23 -39.3 89.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.218 -179.418 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.487 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 32.6 m -77.97 -26.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.63 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.73 -45.54 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.629 179.789 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.03 -39.51 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.028 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -53.51 56.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.168 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.16 -35.81 79.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.502 ' HE3' HD12 ' A' ' 57' ' ' LEU . 20.8 ttp -60.57 -41.25 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -69.83 -34.61 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.541 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -62.34 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 90.2 mt -71.87 -52.41 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.474 ' HA ' ' HE3' ' A' ' 181' ' ' MET . 70.3 mtp180 -58.16 -37.12 74.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.962 -179.292 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.3 m -88.07 -58.87 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.646 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 82.0 tttt -69.79 -54.31 14.22 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.643 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 22.2 ttpp -58.27 -41.83 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.593 0.235 . . . . 0.0 111.608 -178.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.474 ' HE3' ' HA ' ' A' ' 177' ' ' ARG . 40.8 mtt -76.51 -15.23 59.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t -67.52 -61.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.37 126.75 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.694 179.917 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.1 m120 62.13 168.82 0.12 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.292 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.076 179.992 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.565 ' H1 ' ' HG2' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 HD11 ' H1 ' ' A' ' 12' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.41 172.81 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -139.33 102.83 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -104.38 152.33 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -179.808 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -125.81 128.98 48.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.871 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.02 132.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 HD13 ' HA3' ' A' ' 86' ' ' GLY . 20.7 mm -114.21 132.77 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 179.732 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mmt -85.15 93.19 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.03 179.64 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -101.88 160.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.587 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' N ' HG21 ' A' ' 20' ' ' VAL . . . 162.96 -155.78 27.27 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 104' ' ' THR . 29.1 t -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.663 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.28 29.25 0.25 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.399 -179.855 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.52 80.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.617 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 1.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 111.291 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.91 44.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.688 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.436 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 32.3 mtmm -66.62 -56.82 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.588 ' H ' ' H1 ' ' A' ' 502' ' ' HOH . 86.8 p -58.05 -29.59 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.847 179.45 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.97 -52.95 61.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.7 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.03 -25.44 63.7 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.22 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.5 m -69.96 -58.03 4.33 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.342 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.72 -31.09 57.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.6 -179.282 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.9 mm100 -67.59 -43.5 80.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -73.01 -25.36 60.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 111.416 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 31' ' ' THR . 95.9 mmm -81.73 -49.33 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.18 -6.23 13.03 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.178 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.467 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.1 m-20 58.78 34.47 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.78 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -149.78 142.62 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -179.648 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -90.3 105.68 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.14 144.12 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.778 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.74 115.41 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.69 -60.58 1.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.1 t80 61.51 105.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.282 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.29 93.12 2.27 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.87 179.696 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.59 127.72 26.52 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.588 2.192 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -81.21 162.96 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -113.31 -44.84 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.23 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.41 133.08 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -111.62 176.92 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -102.06 125.76 48.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.86 131.04 54.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 179.47 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -142.67 136.48 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.59 120.25 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.9 m -132.09 159.78 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -94.75 139.97 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.3 tp -138.09 101.68 4.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 57.19 31.26 19.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.03 -25.05 29.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.6 114.16 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 111.106 -179.894 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.77 116.53 18.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.2 m -120.7 142.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.271 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.98 136.33 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.782 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -111.51 135.84 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -118.81 113.58 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.46 HG21 HG23 ' A' ' 31' ' ' THR . 36.8 mt -115.12 134.06 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.217 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.8 tp -136.19 137.4 40.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -89.61 114.67 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.2 p -87.8 -22.65 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HA ' ' H2 ' ' A' ' 502' ' ' HOH . . . 58.22 -166.87 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 179.77 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.21 91.74 0.07 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.665 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.499 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 65.9 mt -75.48 -13.77 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.678 0.275 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.03 83.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 -179.809 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -173.48 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -75.74 158.81 31.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.98 -52.89 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.36 10.46 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.6 mt -77.12 -21.24 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 36.7 ptt180 -66.11 -27.03 67.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.67 -30.93 71.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.77 -40.86 56.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.305 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -64.22 -43.24 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -179.614 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.584 ' HB2' HG13 ' A' ' 114' ' ' VAL . 32.4 m-85 -65.28 -30.24 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.803 179.84 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -81.38 -21.92 38.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -85.6 6.37 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.414 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -132.84 172.77 21.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.47 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -118.02 -26.18 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.59 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -114.01 158.88 14.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.425 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -133.98 140.19 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.074 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.526 ' HG ' HD23 ' A' ' 172' ' ' LEU . 10.5 mt -129.26 109.74 11.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.742 179.196 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' HB ' ' A' ' 104' ' ' THR . 3.9 tp -82.13 126.3 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.993 179.811 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t -131.42 138.85 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.452 . . . . 0.0 112.17 -179.389 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.619 ' HB3' HG22 ' A' ' 104' ' ' THR . 9.8 p90 -148.87 151.77 35.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.195 178.597 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.478 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 36.3 m -87.44 127.89 35.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.445 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.2 pt -60.95 -39.69 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.898 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.469 HG23 ' HG3' ' A' ' 97' ' ' GLU . 6.0 t -71.37 -12.42 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.469 ' HG3' HG23 ' A' ' 96' ' ' THR . 39.6 mt-10 -118.11 93.88 4.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.707 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.97 -16.21 58.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.207 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.62 -26.26 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.852 -179.338 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' THR . 17.6 m -74.45 -53.11 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.774 -178.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -48.85 -38.21 21.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 0.0 111.62 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.75 -53.61 11.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.999 -179.595 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -36.59 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.326 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 93' ' ' PHE . 43.3 p -58.56 -34.49 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.063 0.459 . . . . 0.0 110.772 179.757 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.74 73.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.31 -179.674 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.27 -43.32 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.771 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -66.33 -25.85 67.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -54.14 -44.84 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.523 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.01 -34.45 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.754 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 78.9 mt-30 -60.82 -30.05 69.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.38 -45.77 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.94 -26.74 66.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.247 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HD3' ' HA ' ' A' ' 110' ' ' GLN . 70.5 mtp180 -64.75 -51.05 64.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.48 -179.767 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.584 HG13 ' HB2' ' A' ' 83' ' ' PHE . 1.4 m -62.44 -22.75 30.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 110.574 179.674 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -114.33 51.14 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.075 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.21 -40.37 16.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.092 -179.211 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.62 -46.57 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.35 121.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.141 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -148.8 -61.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.588 179.108 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.516 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mmtt -146.42 92.8 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.572 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mm -95.21 104.08 14.11 Favored Pre-proline 0 N--CA 1.463 0.188 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.63 -178.79 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.59 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 98.4 Cg_endo -80.74 122.52 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.208 1.939 . . . . 0.0 111.684 179.209 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.43 155.16 51.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -179.492 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -161.84 120.76 2.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.235 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.481 HG21 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.92 141.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.972 0.415 . . . . 0.0 111.136 -179.521 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.52 147.81 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.146 -179.499 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.16 128.72 8.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.876 179.568 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -101.92 -173.14 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.324 -179.702 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.478 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 11.6 mmmm 56.73 19.44 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.431 ' HA ' HD12 ' A' ' 95' ' ' ILE . 70.6 m -58.35 -16.31 14.03 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.327 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.28 -0.52 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 179.524 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.481 HD11 ' HD2' ' A' ' 135' ' ' ARG . 46.7 mt -121.22 69.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.447 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -64.64 -33.44 75.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.9 pt-20 -70.82 -17.06 62.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.481 ' HD2' HD11 ' A' ' 132' ' ' LEU . 99.2 mtt180 -106.4 -4.82 19.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.447 HH12 ' HG2' ' A' ' 133' ' ' GLU . 42.0 ttm180 -63.29 108.37 1.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.747 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -96.91 -21.6 17.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.374 -179.324 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.417 HG13 ' HB3' ' A' ' 143' ' ' ALA . 79.9 t -101.83 98.52 9.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 9.3 Cg_endo -52.54 153.17 14.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.358 2.039 . . . . 0.0 112.044 179.682 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 90.2 t -62.37 -54.25 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.477 -179.497 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.32 -44.18 71.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.791 -179.041 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -66.9 -35.66 80.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.903 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.417 ' HB3' HG13 ' A' ' 138' ' ' VAL . . . -73.97 -30.57 62.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.7 mtt180 -78.26 -35.12 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -51.34 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.74 97.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.716 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.34 -36.97 77.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.48 -179.694 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.83 -32.5 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.806 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -51.4 -42.21 61.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -69.41 -27.15 65.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 179.618 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.02 32.91 2.71 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.816 179.613 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.1 170.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.07 0.462 . . . . 0.0 112.111 -179.715 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.47 135.05 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.663 178.888 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.481 ' HD1' HG21 ' A' ' 125' ' ' VAL . 40.8 t80 -98.61 143.29 29.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.185 0.517 . . . . 0.0 111.951 -179.055 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.02 152.07 20.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -89.51 143.78 26.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.5 p -150.64 153.41 35.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.989 0.423 . . . . 0.0 111.668 -179.427 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.0 m -124.0 109.82 14.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.46 -3.48 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.32 -179.818 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -93.84 -47.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.408 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 67.7 p -89.93 -3.87 57.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.482 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.4 ppt_? 36.45 36.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.048 179.864 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.13 -52.7 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.694 -179.469 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -111.65 16.32 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -179.346 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.64 -43.25 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.946 179.79 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.0 -15.19 61.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.307 -179.981 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -61.57 -45.78 92.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.373 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.32 -26.69 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.602 -179.333 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -69.04 -46.37 68.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.183 179.412 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.02 -30.55 65.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.34 -50.98 61.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.69 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.526 HD23 ' HG ' ' A' ' 90' ' ' LEU . 31.2 tp -63.71 -33.75 76.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.36 -44.06 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.118 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -70.05 -34.75 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.681 179.358 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.89 -44.75 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.453 -179.706 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 67.6 mt -72.71 -54.8 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.713 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.434 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -56.98 -30.38 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.929 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 75.6 m -87.94 -60.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -179.431 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.516 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 78.8 tttt -72.24 -55.12 7.74 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.36 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -57.23 -58.53 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.637 0.256 . . . . 0.0 111.668 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.434 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.9 mmt -57.63 -18.28 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.775 -179.302 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 36.8 t -65.71 -59.24 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.46 98.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.054 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -110.82 120.22 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.075 -179.935 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.588 ' H1 ' ' H ' ' A' ' 28' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.49 158.59 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.431 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.8 tp -130.02 109.13 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -103.91 133.05 49.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.9 mttm -116.22 103.98 11.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.56 129.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.188 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 HD13 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -95.94 108.86 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.831 179.816 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.585 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.8 tpt -66.95 97.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.703 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' A' ' 91' ' ' LEU . 13.4 p -113.45 160.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' HG21 ' A' ' 104' ' ' THR . . . 161.34 84.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.732 -179.805 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.452 ' HB2' HG23 ' A' ' 104' ' ' THR . 28.3 t 61.1 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.887 0.375 . . . . 0.0 111.221 179.51 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.36 -36.45 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.69 58.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.268 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG23 ' OG ' ' A' ' 100' ' ' SER . 53.7 t -106.93 -55.12 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.33 36.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.056 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.651 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -50.59 -38.3 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.367 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' ' H1 ' ' A' ' 502' ' ' HOH . 96.4 p -68.44 -30.39 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.33 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.99 -179.081 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 165' ' ' VAL . 2.3 mm? -62.51 -25.49 68.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.064 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.1 m -74.2 -37.89 63.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.968 -179.353 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 99.4 mt -70.91 -49.0 50.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.474 -179.237 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -55.86 -41.24 74.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.377 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 tpp -81.52 -49.86 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.167 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -127.41 -10.47 5.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.561 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.05 73.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -169.82 134.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.597 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -91.39 105.88 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.112 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.1 t -138.86 149.62 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.879 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -90.43 97.57 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.746 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -170.84 143.2 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.424 ' HB3' ' H1 ' ' A' ' 503' ' ' HOH . 47.0 p90 -157.43 168.1 28.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.74 144.22 28.98 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 147.61 76.43 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.358 2.039 . . . . 0.0 112.295 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 68' ' ' ASP . 43.8 m -102.27 107.27 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -106.73 -56.0 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.44 -1.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.89 138.2 40.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.635 179.69 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.493 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -129.75 148.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -179.751 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 70.2 m-85 -92.43 132.37 36.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.258 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -134.85 135.44 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.118 0.485 . . . . 0.0 111.551 -179.655 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.25 172.25 18.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.029 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -128.55 143.2 50.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.499 . . . . 0.0 111.954 -179.62 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.5 m -145.55 137.2 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.41 179.635 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.96 129.67 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.6 tp -137.06 120.17 16.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 55.87 30.67 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.69 56.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.708 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -146.04 113.82 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.17 122.36 26.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.28 177.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -119.01 123.0 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.31 142.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.7 t70 -134.74 116.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -179.663 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -99.76 131.16 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.336 179.514 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 68' ' ' ASP . 2.5 tm? -142.06 139.78 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.439 -178.677 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.531 ' N ' HD12 ' A' ' 67' ' ' LEU . 28.2 t70 80.35 105.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.547 179.441 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -143.89 167.24 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.324 179.574 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.484 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . 61.92 172.02 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.554 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 132.97 35.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.972 179.487 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.11 -31.53 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.479 0.181 . . . . 0.0 111.087 -179.532 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 63.46 115.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 59.09 95.74 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -153.36 105.83 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.411 -179.398 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.39 54.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 179.297 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.16 17.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.3 mt -66.98 -21.0 27.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.312 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -60.56 -46.06 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.263 -179.711 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.94 -34.07 58.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.28 -46.76 88.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.788 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -65.07 -44.7 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.627 -179.503 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -17.05 63.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -84.09 -17.99 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.2 m -102.86 11.39 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' HA3' HD13 ' A' ' 18' ' ' ILE . . . -120.18 175.14 15.85 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.518 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -115.9 -60.94 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.533 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.58 166.54 27.96 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.54 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -137.89 132.76 32.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.739 0.304 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD12 HG22 ' A' ' 168' ' ' VAL . 1.2 tt -123.48 97.01 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.817 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.615 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.22 128.96 34.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.657 -179.619 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.81 138.52 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 111.831 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.551 ' HB3' HG22 ' A' ' 104' ' ' THR . 30.5 p90 -144.91 146.84 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.445 178.866 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.7 m -90.59 135.02 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.156 -179.683 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 34.5 pt -64.38 -29.75 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.679 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.419 HG23 HD12 ' A' ' 132' ' ' LEU . 35.4 p -73.08 -31.14 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.619 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.02 98.3 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.635 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.35 -21.76 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.036 -179.811 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.424 ' OG ' HG23 ' A' ' 25' ' ' VAL . 31.5 m -67.63 -54.73 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.539 -178.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.53 -36.07 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.569 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.0 p -71.7 -53.39 13.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.01 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.46 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.034 -179.854 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.615 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.0 p -56.96 -35.97 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.636 179.477 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.077 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.27 -47.93 63.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.696 179.81 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.415 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.5 m-85 -58.9 -24.61 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.774 179.626 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -52.52 -48.3 66.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.76 -36.3 73.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.634 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -61.26 -34.11 74.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -62.58 -42.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.468 -179.696 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.22 -26.67 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.413 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.6 mmt180 -52.5 -51.19 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.875 -179.169 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.7 m -66.56 -40.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.655 -179.43 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -96.96 32.22 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.36 -18.19 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.04 -32.03 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.26 137.61 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.05 -60.57 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.01 120.18 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.5 mm -123.16 104.23 35.34 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.6 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 33.6 Cg_endo -64.8 104.42 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.354 2.036 . . . . 0.0 111.719 179.361 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -133.38 154.39 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 111.272 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.527 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -160.61 123.78 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.54 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.542 HG22 HD13 ' A' ' 91' ' ' LEU . 7.3 p -102.26 143.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 111.5 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.535 HG13 HG13 ' A' ' 168' ' ' VAL . 12.0 t -140.2 152.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.82 133.52 11.66 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.231 179.859 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -104.54 175.61 5.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.408 ' HG3' HD12 ' A' ' 132' ' ' LEU . 0.1 OUTLIER 54.69 26.28 7.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.842 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -69.21 -1.99 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.583 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.97 19.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.526 HD11 ' HD3' ' A' ' 135' ' ' ARG . 55.3 mt -139.17 87.78 2.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.63 -34.98 67.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.5 pt-20 -78.22 -40.81 36.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.526 ' HD3' HD11 ' A' ' 132' ' ' LEU . 78.7 mtp180 -81.76 7.44 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 39.9 ttm180 -69.34 116.76 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.82 -33.99 19.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.419 179.704 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 83.6 t -114.15 114.66 45.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.752 179.572 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 78.2 Cg_exo -50.64 125.0 14.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.17 1.913 . . . . 0.0 111.789 179.652 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -49.45 -40.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.792 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.14 -41.34 88.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 98.0 mtt180 -66.28 -41.19 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -65.73 -47.95 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.772 -179.266 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -47.41 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.216 -179.419 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.504 ' HB1' HG13 ' A' ' 125' ' ' VAL . . . -65.16 -37.06 86.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.392 -179.611 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.97 -32.1 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.01 -48.32 64.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.749 179.641 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -58.88 -27.61 65.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.98 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.06 20.05 8.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.132 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -121.13 164.18 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 111.67 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -103.26 128.17 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.726 178.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.479 ' HA ' HG11 ' A' ' 125' ' ' VAL . 32.5 t80 -96.52 124.18 40.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 0.0 111.415 -179.212 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.31 155.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.324 -179.608 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.66 147.25 23.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -179.713 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.7 p -149.83 173.26 13.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.98 179.764 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.405 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 67.9 m -139.72 110.97 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.9 -3.68 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.646 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -99.48 -46.54 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 30.3 p -85.25 -9.65 57.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? 35.01 39.98 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.67 0.606 . . . . 0.0 112.022 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.48 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.788 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -111.78 16.27 20.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.532 -179.455 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 168' ' ' VAL . 7.3 p -63.32 -39.26 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 179.74 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.31 -23.98 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 179.55 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 171' ' ' ASP . 8.0 tmtm? -63.37 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.799 -179.303 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.545 HG22 HD12 ' A' ' 90' ' ' LEU . 3.0 m -73.15 -32.26 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 111.298 -179.201 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -74.38 -41.6 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.654 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -72.04 -35.57 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.398 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.492 ' HB2' ' HZ2' ' A' ' 167' ' ' LYS . 10.8 t70 -64.71 -44.76 89.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 110.706 -179.724 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.527 HD13 ' HB2' ' A' ' 124' ' ' LEU . 62.3 tp -72.84 -33.83 66.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.43 ' HA ' HD11 ' A' ' 176' ' ' ILE . 47.7 ttm -56.51 -44.12 80.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.429 HH21 ' HA ' ' A' ' 171' ' ' ASP . 81.8 mtm180 -66.46 -34.89 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.819 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.22 -33.39 73.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 40.8 mt -70.6 -45.06 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.519 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.456 ' HA ' ' HE2' ' A' ' 181' ' ' MET . 14.2 ptm180 -74.88 -33.13 62.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.1 m -89.28 -59.71 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.119 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.3 -54.48 12.45 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.378 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.6 ' HD2' ' HG3' ' A' ' 122' ' ' PRO . 61.5 tttm -62.4 -33.69 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.504 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.456 ' HE2' ' HA ' ' A' ' 177' ' ' ARG . 40.0 mtt -81.59 -12.62 58.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.498 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.6 p -67.94 -59.57 3.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.683 0.278 . . . . 0.0 110.759 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 53.22 88.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -72.88 -33.97 66.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 179.957 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.401 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . 0.469 ' H2 ' ' HD3' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . 0.424 ' H1 ' ' HB3' ' A' ' 43' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.78 0.324 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.45 137.44 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 tp -111.77 102.55 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -104.98 136.66 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.632 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.0 122.13 45.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.84 133.73 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.732 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.1 mm -112.57 130.11 66.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.753 0.311 . . . . 0.0 111.401 -179.792 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 95.8 mmm -78.85 90.57 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.253 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 91' ' ' LEU . 7.2 p -94.8 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 179.799 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.68 -162.81 28.42 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' HG ' ' N ' ' A' ' 23' ' ' GLY . 78.0 p -60.64 -51.39 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.787 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' HG ' ' A' ' 22' ' ' SER . . . 137.65 31.3 0.24 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.255 -179.886 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.75 57.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.55 -179.834 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.61 -16.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.061 179.783 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.04 43.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.413 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.6 mttt -56.36 -30.54 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 31' ' ' THR . 76.1 p -75.23 -28.98 60.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -52.07 67.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.037 -178.768 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 165' ' ' VAL . 1.7 mm? -61.24 -25.35 67.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.339 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.2 m -72.67 -42.21 64.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.636 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.28 -30.09 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.28 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.2 mm100 -76.56 -38.02 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -72.76 -41.78 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.755 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.468 ' HE2' ' HB3' ' A' ' 51' ' ' TYR . 71.4 mtp -81.75 -49.55 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.071 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -103.42 -20.34 14.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.461 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.8 t70 58.88 43.04 18.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.178 0.513 . . . . 0.0 110.053 -179.472 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.5 127.72 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.07 106.02 12.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.621 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.79 141.41 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.24 101.64 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.711 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -141.61 136.72 31.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.949 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -140.86 142.04 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -148.35 148.02 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -60.1 145.35 98.64 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.565 2.177 . . . . 0.0 112.002 179.782 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' HB ' ' HG1' ' A' ' 69' ' ' THR . 32.3 m -131.23 100.5 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -58.46 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.949 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.08 4.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.99 130.96 36.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 p -113.19 171.82 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 33.5 m-85 -103.46 149.77 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.863 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -141.4 131.54 24.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -157.36 151.92 25.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.126 179.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.593 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 30.9 mmtm -105.03 135.61 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.183 -179.572 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.7 147.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.89 140.02 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.7 tp -141.79 103.36 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 55.73 31.26 17.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.739 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.3 -29.32 11.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.411 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -95.38 120.92 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -92.28 121.03 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.82 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.46 152.2 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.593 ' HG2' ' HD2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -81.05 130.31 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -116.77 145.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.861 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.632 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -133.01 127.29 33.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.06 142.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -135.42 119.27 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.14 150.29 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.446 ' HG1' ' HB ' ' A' ' 46' ' ' THR . 26.9 m -142.08 -74.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.95 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.83 -171.07 1.28 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 73' ' ' GLU . . . -58.42 110.04 2.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.936 179.449 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 79' ' ' ARG . 57.0 mt -79.67 30.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.509 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 71' ' ' GLY . 12.2 mm-40 -95.62 24.38 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.93 -47.29 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -64.63 148.51 50.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.59 -53.85 7.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.22 -179.819 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.11 -13.35 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 56.1 mt -63.3 -21.36 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.547 ' HA ' HD23 ' A' ' 72' ' ' LEU . 33.5 ptt180 -64.54 -42.17 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 179.702 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 9.8 m-20 -61.25 -30.81 70.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.431 . . . . 0.0 110.279 179.552 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.0 m-20 -53.05 -34.69 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -74.43 -47.79 31.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.539 -179.515 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.462 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.1 m-85 -63.35 -26.02 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -82.31 -10.86 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.111 -179.581 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.6 m -90.17 4.9 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.46 159.03 21.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.78 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -111.75 169.63 13.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.278 179.76 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 65.5 m-85 -133.85 146.5 50.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 111.187 -179.779 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.587 HD11 HG21 ' A' ' 168' ' ' VAL . 0.8 OUTLIER -131.07 101.68 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.663 179.775 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.577 HD22 ' HB ' ' A' ' 104' ' ' THR . 12.1 tp -82.25 131.77 35.23 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.713 0.292 . . . . 0.0 110.753 -179.537 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.5 t -138.1 136.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.601 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.5 p90 -140.13 147.88 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.23 178.564 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -88.78 129.99 35.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.185 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.45 HD13 ' HE ' ' A' ' 136' ' ' ARG . 3.2 pt -65.89 -30.12 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.098 179.414 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.461 ' HG1' ' HZ1' ' A' ' 129' ' ' LYS . 62.9 p -68.96 -17.14 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.477 179.342 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -124.69 98.12 5.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.736 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.78 -16.19 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.18 -25.78 60.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -68.54 -52.37 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.57 -36.04 55.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.768 -179.787 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.8 p -72.15 -53.67 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.835 -178.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.13 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.901 0.382 . . . . 0.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.601 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.8 p -54.38 -33.26 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.738 179.271 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -68.47 -32.35 72.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.49 -38.18 86.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -58.21 -23.29 55.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.714 179.922 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.514 ' NH1' ' HB3' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -47.26 -49.53 23.31 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.12 -40.56 82.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 179.719 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.32 -26.76 65.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 80.8 mt -70.45 -43.98 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 179.918 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.8 mmp_? -56.66 -50.51 71.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.432 HG22 ' HG2' ' A' ' 115' ' ' LYS . 4.6 m -70.06 -11.61 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.233 -179.877 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' HG2' HG22 ' A' ' 114' ' ' VAL . 75.9 mmtt -126.78 67.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 179.776 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.41 -20.33 37.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.11 -55.69 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HG2' ' HE3' ' A' ' 180' ' ' LYS . 9.4 tp10 -67.73 133.75 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.1 -14.38 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.817 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 13.3 mptt -109.07 96.47 6.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.809 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.1 mp -108.07 105.27 56.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.659 179.469 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.419 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.2 Cg_endo -62.87 130.79 30.48 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.383 2.055 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -139.31 161.38 37.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.069 -179.949 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.55 124.02 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 179.437 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 154' ' ' TYR . 3.4 p -98.68 141.91 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.047 0.451 . . . . 0.0 111.756 -179.276 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.573 HG13 HG12 ' A' ' 168' ' ' VAL . 7.4 t -143.32 157.15 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.617 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.423 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -127.97 127.9 5.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.317 179.935 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -94.37 -171.81 2.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' HZ1' ' HG1' ' A' ' 96' ' ' THR . 11.2 mmmm 60.08 15.46 5.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.489 ' HG ' HH21 ' A' ' 136' ' ' ARG . 45.8 t -61.13 -13.34 16.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.773 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.15 -3.13 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.707 179.851 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.496 HD13 ' HD2' ' A' ' 135' ' ' ARG . 44.5 mt -120.4 85.87 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.85 -27.94 63.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.62 -34.23 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -89.82 -2.28 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.803 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.489 HH21 ' HG ' ' A' ' 130' ' ' SER . 46.3 ttm180 -67.8 108.23 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.16 179.535 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 29.5 mm-40 -87.58 -27.79 22.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.549 -179.186 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.4 t -96.75 106.97 33.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.248 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 36.7 Cg_exo -58.08 125.04 17.35 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.078 1.852 . . . . 0.0 111.218 179.091 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -46.21 -43.25 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.545 -179.408 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.77 -48.92 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.167 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.6 -36.83 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.39 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.9 mtt180 -65.82 -44.01 86.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.57 -179.564 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.9 t -59.98 -53.45 57.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -46.59 88.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 -179.717 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.29 -47.96 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.472 -179.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.67 -31.65 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.521 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.9 -48.41 70.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.679 0.276 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.514 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 8.4 m0 -69.18 -7.75 39.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 179.768 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.89 27.36 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.003 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.65 168.1 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 0.0 111.377 -179.606 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -113.91 131.38 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.746 178.888 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.463 ' HA ' HG13 ' A' ' 125' ' ' VAL . 41.1 t80 -94.58 137.47 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 111.015 -179.527 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.51 152.62 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.714 -179.444 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.86 137.25 32.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.381 179.611 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.477 HG21 ' HB2' ' A' ' 164' ' ' ASN . 64.6 p -146.78 157.31 43.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.086 0.47 . . . . 0.0 112.034 -179.334 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 m -129.11 110.93 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.43 179.371 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.65 -5.3 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.589 -179.937 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -94.5 -37.06 11.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.8 p -95.53 -6.19 41.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.38 -179.672 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.415 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 35.42 38.47 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.572 0.545 . . . . 0.0 111.626 -179.81 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.65 5.2 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.477 ' HB2' HG21 ' A' ' 157' ' ' THR . 3.2 m-20 -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.7 p -56.49 -39.05 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.82 -34.94 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.948 179.543 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -56.49 -30.66 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.949 -179.083 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.587 HG21 HD11 ' A' ' 90' ' ' LEU . 2.8 m -73.05 -31.66 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 111.391 -179.375 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.56 -41.45 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -71.92 -40.82 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.045 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.07 -45.4 90.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 176' ' ' ILE . 47.3 tp -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 179.788 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.8 ttm -57.5 -41.01 79.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.133 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.55 -32.24 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.575 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.6 mt -72.5 -32.81 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -75.54 -42.3 52.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.569 -179.831 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.0 m -87.11 -59.33 2.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -178.324 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.44 -54.97 10.17 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.276 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.575 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.5 tptm -58.42 -37.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.85 -15.42 54.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.7 0.286 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t -64.21 -60.81 2.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 57.85 16.54 3.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.29 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.67 -56.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.691 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.836 179.829 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . 0.418 H5'1 ' H8 ' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.653 ' H1 ' HD13 ' A' ' 12' ' ' LEU . 8.2 mp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.85 164.11 14.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.3 tp -135.98 110.28 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.6 129.96 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.556 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.2 mttm -107.43 123.17 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.265 -179.653 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.8 130.79 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.6 112.13 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.477 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.545 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 5.6 mmt -62.26 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.495 179.363 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 p -99.39 157.99 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.719 179.939 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' HG23 ' A' ' 104' ' ' THR . . . -178.23 -162.32 27.81 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.651 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.2 p -64.57 -33.09 75.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.732 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.3 21.79 4.32 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.258 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.12 69.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 93' ' ' PHE . 78.5 t -127.76 -77.51 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.658 0.266 . . . . 0.0 111.162 -179.728 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.23 39.6 0.02 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.639 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 7.2 ptpp? -69.46 -35.56 75.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 97.6 p -57.58 -30.75 65.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.296 179.858 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.37 -54.11 23.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.091 -178.955 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.5 mm? -60.1 -24.76 64.9 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.645 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 65.3 m -64.56 -47.32 79.18 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 179.73 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.89 -36.87 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.368 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.5 mm100 -56.43 -36.64 69.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -72.77 -25.13 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 179.86 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.67 -49.7 10.17 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.299 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.67 -6.87 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.0 m-20 58.15 38.88 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.067 0.46 . . . . 0.0 110.527 -179.688 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' C ' HE22 ' A' ' 33' ' ' GLN . 44.1 tt0 -149.86 135.31 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.548 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' H ' HH11 ' A' ' 162' ' ' ARG . 60.3 t80 -85.43 118.98 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.444 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.454 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.6 t -132.04 142.48 42.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.25 -38.77 92.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.454 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.3 m-20 -57.4 121.38 10.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -109.0 166.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.21 102.76 11.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.941 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.95 157.99 53.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.268 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.511 HG23 ' HA ' ' A' ' 68' ' ' ASP . 87.4 m -95.11 138.38 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.3 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -142.99 -44.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.89 -19.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.17 132.28 38.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -110.97 164.12 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 54.9 m-85 -104.06 145.58 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.654 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -147.91 146.38 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -165.85 142.54 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.497 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.38 121.96 28.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.6 m -137.54 143.41 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.875 179.596 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.608 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -90.24 139.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.016 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD21 HH11 ' A' ' 177' ' ' ARG . 55.3 tp -143.87 120.79 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 56.88 30.99 18.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.02 -31.7 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.84 123.27 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.608 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.8 tt0 -80.7 112.55 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.139 -179.699 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.39 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -87.6 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.723 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.59 142.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.556 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 23.3 t70 -123.55 118.22 26.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.974 -179.837 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.11 120.3 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD11 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -132.73 138.05 47.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.567 ' N ' HD11 ' A' ' 67' ' ' LEU . 18.2 t70 65.17 98.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 75.3 p -132.14 37.32 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -179.695 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.36 162.26 41.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.2 127.67 45.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.67 -74.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.665 0.269 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 54.95 -166.86 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 62.87 -79.08 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 179.764 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.489 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 73.7 m-85 -52.04 135.13 31.63 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.05 -38.04 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.801 -179.433 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.48 -28.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.806 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 62.8 mt -57.05 -29.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.422 ' NH2' HE22 ' A' ' 110' ' ' GLN . 23.9 ptt180 -69.67 -35.83 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.439 179.779 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 11.3 m-20 -69.45 -31.09 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -50.46 -34.82 26.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.158 179.657 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -60.15 -42.43 94.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.4 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.0 m-85 -63.23 -39.22 93.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.463 ' HB2' ' HB ' ' A' ' 114' ' ' VAL . 36.7 ttm180 -68.94 -15.94 63.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -81.28 -18.52 45.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.396 -179.558 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.76 157.3 15.48 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.776 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.453 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 10.8 mm-40 -96.81 -13.48 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 110.651 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.414 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -127.69 158.34 21.27 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.097 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 34.7 m-85 -135.46 131.97 36.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.521 HD22 HG23 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -122.02 106.82 11.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.784 179.758 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.589 HD12 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -82.76 118.84 23.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG23 HD22 ' A' ' 90' ' ' LEU . 3.3 t -126.5 131.03 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.707 -178.855 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.532 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.5 p90 -139.93 -176.81 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.715 179.019 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.6 t -124.02 141.57 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 129' ' ' LYS . 18.5 pt -71.52 -34.4 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.938 179.726 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.7 p -65.9 -27.88 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.816 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -108.38 98.7 8.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.2 -17.74 62.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.32 -26.97 60.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.003 0.43 . . . . 0.0 110.909 -179.499 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -68.38 -54.05 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.445 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.71 -39.96 71.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.735 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.71 -53.78 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.319 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.87 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.139 -179.455 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.589 ' HB ' HD12 ' A' ' 91' ' ' LEU . 6.9 p -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.375 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.47 76.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.15 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.752 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 35.1 m-85 -62.14 -26.72 68.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.68 -179.832 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.408 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.4 tmt_? -51.33 -48.74 62.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.74 -29.08 65.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.422 HE22 ' NH2' ' A' ' 79' ' ' ARG . 85.8 mt-30 -70.84 -26.68 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.457 -179.579 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.5 mt -67.18 -41.78 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.297 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.94 -27.31 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.419 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.4 mmp_? -62.88 -50.18 71.91 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 84' ' ' ARG . 4.3 m -70.23 -11.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -124.88 37.62 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.48 -15.69 58.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.39 -179.969 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.7 -26.11 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.22 144.47 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.69 -52.93 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.22 118.19 20.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 50.8 mm -122.02 106.17 36.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.414 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.6 Cg_endo -66.6 117.88 5.09 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.884 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.57 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 15.9 tp -129.27 160.96 31.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.57 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 20.8 tp -163.36 113.52 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 179.26 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.567 HG22 ' HD1' ' A' ' 154' ' ' TYR . 1.4 p -88.61 139.71 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.354 -179.439 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.32 153.93 29.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.187 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.72 110.71 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.98 -167.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 95' ' ' ILE . 68.6 mmtt 58.55 15.57 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.344 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.443 ' HA ' HH21 ' A' ' 136' ' ' ARG . 66.9 m -59.61 -17.84 36.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.122 -179.679 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.56 -13.12 18.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 110.399 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.478 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.4 mt -113.23 76.25 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.79 -25.53 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.198 -179.538 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -84.76 -12.92 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.103 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 65.2 mtp180 -109.0 2.47 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.899 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.443 HH21 ' HA ' ' A' ' 130' ' ' SER . 40.7 ttm105 -66.86 109.94 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.997 -179.789 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -82.05 -27.99 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.107 -179.833 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.18 109.95 54.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.73 147.26 72.78 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.264 1.976 . . . . 0.0 111.765 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 95.1 t -58.67 -54.94 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.506 -179.703 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.89 -33.57 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -179.111 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.18 -45.41 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.12 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.6 mtt180 -71.49 -51.61 22.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -62.9 -29.34 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.243 179.612 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.513 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -64.53 -48.9 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.225 179.548 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.48 -50.87 61.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.399 -179.112 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.13 -31.61 20.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.762 -179.525 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 146' ' ' LYS . 46.7 mt-10 -52.37 -48.97 65.28 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.284 179.621 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . 0.46 ' CZ3' ' HE3' ' A' ' 146' ' ' LYS . 12.6 m0 -83.97 5.56 25.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.91 20.54 61.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.599 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.8 m -121.26 -179.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.171 0.51 . . . . 0.0 111.627 -179.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -125.04 134.71 52.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.628 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.567 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.6 t80 -95.66 143.25 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 0.0 111.794 -179.411 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.34 148.49 29.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . 0.402 ' HG2' ' HH ' ' A' ' 154' ' ' TYR . 42.3 mt-10 -89.51 141.41 28.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 179.403 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.4 p -144.23 153.11 41.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.905 -179.158 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.402 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 50.8 m -125.85 108.74 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.379 179.402 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -19.77 64.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.49 -31.32 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.402 ' HG1' ' HB2' ' A' ' 158' ' ' SER . 48.4 p -95.98 -23.17 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.6 HH11 ' H ' ' A' ' 39' ' ' PHE . 13.8 mtm180 54.67 32.12 16.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.46 -55.3 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.49 30.72 2.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.1 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.521 ' O ' HG21 ' A' ' 168' ' ' VAL . 47.0 t -68.95 -47.8 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.514 178.97 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -72.03 -14.97 62.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.8 -31.3 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.524 -179.697 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 165' ' ' VAL . 7.3 m -85.91 -34.44 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.312 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -74.83 -44.48 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.417 -179.911 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.14 -52.31 24.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.688 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.76 -42.75 68.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.915 -179.679 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -73.0 -35.35 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.69 -39.52 94.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.95 -34.88 79.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.8 mm-40 -64.87 -45.36 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.637 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.482 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 51.4 mt -58.09 -32.54 44.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.486 HH11 HD21 ' A' ' 57' ' ' LEU . 73.7 mtp180 -75.53 -52.66 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.818 -179.825 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.1 m -86.87 -59.37 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.417 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.8 tttp -58.13 -54.11 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.916 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 61.4 tttp -65.53 -57.71 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.354 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.7 mmt -60.8 -12.78 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.028 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 39.9 t -66.43 -60.92 2.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 58.42 28.2 16.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.824 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -58.43 -45.43 88.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.808 179.991 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD13 ' H3 ' ' A' ' 12' ' ' LEU . 6.2 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.763 0.316 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.44 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.66 116.28 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -108.01 105.53 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -88.34 116.37 26.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.219 -179.435 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.08 135.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.576 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.36 114.41 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.404 -179.496 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.567 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -63.34 95.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.452 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.4 p -100.87 160.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 169.02 -157.41 29.43 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.807 -179.704 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 104' ' ' THR . 31.0 t -61.83 -53.72 51.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.706 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.32 -36.65 0.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.153 -179.683 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.76 79.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.099 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 93' ' ' PHE . 54.3 t -121.24 -60.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.9 27.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.103 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.4 mtmt -53.96 -47.21 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -66.39 -31.07 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.453 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.41 -52.83 50.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.763 -179.18 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -25.11 67.04 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.341 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 28' ' ' SER . 99.5 m -68.3 -44.2 75.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.021 179.713 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.23 -37.44 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.2 mm100 -58.95 -37.98 77.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -72.64 -25.12 61.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.772 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 tpp -80.57 -48.62 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -178.645 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.81 -5.95 19.4 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.412 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 57.06 29.66 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.937 0.399 . . . . 0.0 110.342 -179.515 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -154.2 153.1 31.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.777 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.412 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 64.5 t80 -87.11 105.6 17.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.631 179.843 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 142.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.646 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.31 142.76 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -155.48 -54.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.9 t80 62.26 108.49 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.61 98.52 5.35 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.18 124.18 15.66 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.534 2.156 . . . . 0.0 112.535 -179.874 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -72.03 143.72 49.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -142.09 -46.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.92 3.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.52 136.21 33.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -116.46 159.99 21.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -116.45 135.01 54.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.88 160.33 34.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.317 -179.864 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -166.13 162.98 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.18 128.43 56.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.94 0.4 . . . . 0.0 111.467 -179.598 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.531 HG22 ' HE3' ' A' ' 173' ' ' MET . 35.3 m -141.29 170.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.675 179.661 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.8 t -115.22 144.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.212 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.482 HD13 ' HE1' ' A' ' 173' ' ' MET . 14.3 mt -140.72 97.85 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.19 31.3 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.65 59.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.931 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' HB3' HH12 ' A' ' 177' ' ' ARG . 9.4 tp10 -117.83 118.91 33.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -93.0 120.07 32.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.337 -179.415 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -143.05 148.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -98.69 138.97 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -105.62 123.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 179.775 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -102.89 113.71 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 -179.788 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.4 mt -98.39 122.52 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.539 HD11 ' N ' ' A' ' 68' ' ' ASP . 3.1 tm? -138.37 137.89 37.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.658 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.539 ' N ' HD11 ' A' ' 67' ' ' LEU . 24.8 t70 65.5 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -164.39 9.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.566 -179.554 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.49 166.48 23.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.582 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 126.52 41.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.233 179.656 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.28 -34.04 67.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.514 0.197 . . . . 0.0 111.183 -179.641 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 63.36 116.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.66 97.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.713 -179.639 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -161.67 135.57 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.073 -179.553 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -49.36 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.783 179.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.11 25.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.14 -17.34 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -54.85 -56.44 19.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 179.857 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -53.98 -33.59 57.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.97 -41.65 98.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.134 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.03 -47.44 65.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -59.17 -30.14 67.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.758 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' N ' HG13 ' A' ' 114' ' ' VAL . 64.1 ttt180 -78.51 -23.7 46.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -76.36 -20.77 56.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.91 -161.78 22.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -140.08 -32.98 0.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.53 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -107.14 165.59 13.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.434 -179.97 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -140.57 137.85 34.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.319 -179.749 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD21 ' HB2' ' A' ' 172' ' ' LEU . 16.7 mt -128.02 111.02 13.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.793 178.843 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.632 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.7 OUTLIER -81.82 130.33 35.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.438 -179.775 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.03 137.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.356 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.631 ' HB3' HG22 ' A' ' 104' ' ' THR . 10.8 p90 -160.39 149.43 17.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.036 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.419 ' OG ' HG13 ' A' ' 25' ' ' VAL . 42.2 m -95.18 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.042 0.448 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 HD11 ' HE ' ' A' ' 136' ' ' ARG . 12.9 pt -73.23 -34.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.767 179.435 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.422 HG23 HD13 ' A' ' 132' ' ' LEU . 57.0 p -64.97 -28.08 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.02 179.774 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -107.27 95.0 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -63.11 -16.26 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.031 179.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.5 -26.85 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.241 -179.166 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 83.2 p -74.19 -48.32 29.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.51 -178.848 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.0 -42.77 49.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.115 0.483 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.1 p -72.21 -53.53 12.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.33 -179.412 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.89 73.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.611 -179.233 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.632 ' HB ' HD11 ' A' ' 91' ' ' LEU . 24.0 p -55.72 -31.51 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.23 70.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.205 -179.778 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.32 -40.63 93.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.66 179.613 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -64.93 -25.04 67.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -49.48 -44.44 45.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.68 -37.16 73.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.963 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -61.59 -29.33 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.889 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.06 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.215 -179.877 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.3 -26.39 65.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.772 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -50.6 -51.21 50.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.753 -179.378 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.578 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.6 m -66.14 -34.69 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.578 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.3 mmtt -104.93 54.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.233 179.312 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.22 -39.18 56.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.625 -179.559 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.47 -41.42 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 62.94 121.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.611 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.35 -61.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.811 179.483 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.549 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 46.0 mmtm -145.05 89.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.903 179.167 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.47 109.49 36.53 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.691 -178.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.53 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 83.7 Cg_endo -81.82 135.46 8.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.398 2.065 . . . . 0.0 111.681 179.08 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.7 tp -151.05 165.82 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.262 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.461 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 28.0 tp -168.63 137.24 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.381 179.638 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.557 HG13 HD21 ' A' ' 91' ' ' LEU . 2.6 t -105.48 144.14 15.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 111.569 -179.503 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.446 ' HB ' HG13 ' A' ' 168' ' ' VAL . 7.8 p -139.88 132.35 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.2 179.547 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.33 106.08 2.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.053 179.332 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.8 -175.23 5.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.644 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' O ' HD13 ' A' ' 95' ' ' ILE . 69.0 mmtt 56.53 16.54 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.494 -179.904 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -61.1 -17.41 52.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.229 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.99 -17.98 42.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.767 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD12 ' HD3' ' A' ' 135' ' ' ARG . 63.1 mt -105.42 82.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 179.844 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . 0.52 ' HG2' HH22 ' A' ' 136' ' ' ARG . 32.0 mt-10 -72.99 -17.74 61.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -91.26 -21.32 21.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.818 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . 0.524 ' HD3' HD12 ' A' ' 132' ' ' LEU . 81.1 mtp180 -105.74 10.36 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.755 179.913 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.52 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.2 ttm180 -73.96 117.39 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -96.52 -29.44 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.82 111.77 61.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.28 128.5 22.83 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.095 1.864 . . . . 0.0 111.254 179.216 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.499 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.6 p -51.89 -44.72 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.314 -179.542 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -56.81 -47.31 80.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.51 -27.57 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.295 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.81 60.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.1 mtt180 -69.12 -38.18 78.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.05 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.3 t -65.25 -51.43 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.118 -179.585 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.31 97.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 -179.816 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.59 78.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.377 -179.907 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.38 -32.26 73.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.251 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -53.67 -43.09 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -69.72 -17.11 63.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.57 24.38 10.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.18 171.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.486 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.31 165.66 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.482 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -133.34 138.2 46.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 155' ' ' VAL . . . . . 0.636 HG11 ' HZ1' ' A' ' 167' ' ' LYS . 61.8 t -140.69 152.56 20.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.637 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.26 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.202 179.539 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 164' ' ' ASN . 43.6 p -143.96 157.62 44.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.033 0.444 . . . . 0.0 111.687 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.455 ' HB2' ' HG1' ' A' ' 161' ' ' THR . 50.4 m -126.53 111.13 14.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.438 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.39 -3.39 2.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -91.98 -37.88 12.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.494 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 78.9 p -96.29 -3.39 44.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.007 179.858 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . 0.494 ' HG3' ' C ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.42 40.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.89 -179.718 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -56.13 4.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.853 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . 0.527 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.0 m-20 -112.21 15.37 20.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.395 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.448 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.8 p -64.68 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.744 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -74.08 -14.82 61.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.3 179.562 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 167' ' ' LYS . . . . . 0.636 ' HZ1' HG11 ' A' ' 155' ' ' VAL . 6.1 tmmm? -67.31 -35.22 79.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.089 -178.937 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.4 m -72.51 -28.94 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.823 0.344 . . . . 0.0 111.083 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -74.85 -43.77 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.47 -50.18 47.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.772 179.568 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.32 -53.38 51.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.516 ' HB2' HD21 ' A' ' 90' ' ' LEU . 1.5 tm? -56.45 -44.99 81.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 173' ' ' MET . . . . . 0.531 ' HE3' HG22 ' A' ' 55' ' ' VAL . 22.8 ttp -56.88 -43.02 80.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.442 ' HA ' ' HG2' ' A' ' 177' ' ' ARG . 70.0 mtm180 -69.95 -37.79 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.96 -34.99 79.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . 0.43 HG12 ' HG3' ' A' ' 122' ' ' PRO . 96.4 mt -72.67 -53.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.455 HH12 ' HB3' ' A' ' 60' ' ' GLU . 1.8 ptp180 -59.75 -30.16 68.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.396 -179.638 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 178' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 182' ' ' SER . 63.7 m -87.64 -59.65 2.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -179.456 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 54.9 tttp -70.44 -54.37 12.61 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.889 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.32 -38.64 80.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.673 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.0 mmt -81.6 -16.13 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.265 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 178' ' ' THR . 54.4 p -64.84 -55.99 16.16 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.503 -179.78 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 59.89 107.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.364 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 13.8 m120 61.99 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.294 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.92 110.08 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 63' ' ' GLN . 62.1 tp -84.54 101.3 11.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.28 129.56 52.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 60.9 mttp -102.78 121.97 43.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.219 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.49 129.2 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -105.9 122.26 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.464 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -78.6 78.15 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.786 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.5 p -84.12 157.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.43 -164.6 32.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.498 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.4 t -59.1 -56.26 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.69 -24.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.998 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.61 64.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.146 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 93' ' ' PHE . 47.0 t -109.23 -72.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 0.0 111.288 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.2 39.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.104 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.99 -37.03 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.289 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.2 p -60.14 -29.56 68.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.01 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.7 -52.83 63.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.917 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.744 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.34 -25.57 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.558 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.2 m -65.83 -43.02 89.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.422 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.16 -46.77 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.6 mm100 -55.66 -36.06 66.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 111.517 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.72 -27.08 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.77 0.319 . . . . 0.0 111.373 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.75 -49.75 9.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -117.23 -5.65 11.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-20 58.66 31.82 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' HE22 ' A' ' 33' ' ' GLN . 34.4 tt0 -139.73 133.04 29.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.911 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -84.28 107.74 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.87 144.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.962 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -98.84 126.39 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -144.41 -31.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.7 t80 62.76 107.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.258 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -109.25 118.75 50.3 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.88 132.82 54.35 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.288 1.992 . . . . 0.0 111.885 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.4 m -118.84 141.3 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.351 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -157.57 -37.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -164.51 -17.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' H ' ' H ' ' A' ' 48' ' ' ALA . 11.6 m-20 -72.4 127.27 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB3' HD23 ' A' ' 67' ' ' LEU . 66.9 p -117.36 170.57 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -109.49 126.06 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.81 140.23 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.982 0.42 . . . . 0.0 111.368 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -159.65 169.68 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.47 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -114.73 133.43 55.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 111.521 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -143.09 138.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.8 p -78.57 146.57 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.348 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -136.61 102.23 4.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 52.03 30.82 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.37 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 24.03 12.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.9 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -144.01 113.14 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -81.2 112.81 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 m -123.18 153.13 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 37.2 mt-30 -83.21 148.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 tt -134.81 116.2 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 111.142 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -106.11 114.19 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.454 HG21 HG23 ' A' ' 31' ' ' THR . 49.1 mt -101.4 138.35 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.9 tm? -140.85 101.21 4.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.82 146.45 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -124.04 123.27 39.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.297 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.97 -163.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.936 179.579 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.988 0.423 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -67.29 -37.17 82.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.86 -31.27 62.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.25 -43.89 75.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.8 -30.54 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.599 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -84.38 -32.29 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -80.79 -8.78 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.6 p -94.59 2.8 55.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.9 160.04 23.94 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -92.57 -52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.476 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.54 161.31 26.07 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.643 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -134.64 140.34 45.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.303 . . . . 0.0 110.755 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.93 103.71 7.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.606 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -83.29 96.82 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.754 HG23 HG13 ' A' ' 126' ' ' VAL . 13.0 p -107.8 131.76 57.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.64 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -136.33 -173.6 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.4 t -121.43 144.92 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.373 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.5 pt -78.46 -33.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.949 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -68.9 -19.69 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.72 97.81 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -63.11 -16.32 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.39 -26.6 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 20.2 m -67.76 -53.99 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.293 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.42 -35.93 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.763 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -72.21 -54.08 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.093 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.9 84.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.64 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.5 p -58.66 -31.73 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.18 79.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.49 -47.06 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.67 -29.69 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.104 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -51.06 -45.37 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.91 -30.16 66.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 113' ' ' ARG . 76.3 mt-30 -68.61 -25.12 64.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.365 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.28 -44.95 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.3 -27.04 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.804 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' GLN . 99.6 mtt180 -61.44 -48.64 80.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.3 m -72.54 -12.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -125.98 42.77 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -27.3 68.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.368 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.54 -31.45 47.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.95 163.67 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.08 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.26 107.63 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.18 104.96 46.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.27 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.476 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.3 Cg_endo -67.43 132.46 27.42 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.455 2.103 . . . . 0.0 111.907 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -148.94 155.65 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.8 tp -153.75 127.65 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.585 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.9 p -103.76 142.55 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.017 0.437 . . . . 0.0 111.396 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.754 HG13 HG23 ' A' ' 92' ' ' VAL . 13.8 p -151.74 152.97 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.825 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.8 119.74 3.26 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.97 -162.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' HD11 ' A' ' 95' ' ' ILE . 72.7 mmtt 58.46 12.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.635 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.42 ' HA ' HH21 ' A' ' 136' ' ' ARG . 51.0 m -61.25 -12.16 12.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.38 -4.38 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.96 78.33 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 38.7 mt-10 -72.54 -15.9 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.44 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -93.2 -14.67 26.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.355 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.6 mtt180 -113.94 17.01 18.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.3 ttm105 -82.4 113.3 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -88.69 -31.01 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.802 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.4 t -98.79 109.41 53.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.179 1.92 . . . . 0.0 111.483 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -54.46 -44.99 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.395 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.1 mt-10 -61.4 -43.09 99.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.99 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.0 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.509 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.8 mtt180 -71.4 -40.89 70.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.08 -52.92 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.669 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -47.26 87.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.377 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.42 -32.75 74.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.766 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.4 -32.38 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.712 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.17 -39.33 63.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.687 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.79 30.66 3.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.738 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.03 170.8 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 111.572 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -112.55 131.07 55.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.996 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.585 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.6 t80 -95.54 143.16 27.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.196 0.522 . . . . 0.0 111.88 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.23 153.66 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -93.39 145.08 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.4 p -148.36 159.54 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.45 . . . . 0.0 111.764 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.4 m -130.76 108.67 10.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.424 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.08 -3.73 8.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.37 -32.32 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.531 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 -18.23 21.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 50.64 29.4 4.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.54 4.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.09 19.2 18.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 33' ' ' GLN . 5.7 p -66.95 -41.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.41 -15.03 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -60.04 -42.33 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.877 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.8 m -71.28 -26.73 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 111.658 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.422 ' O ' ' HG3' ' A' ' 173' ' ' MET . 69.2 m-85 -74.8 -48.07 27.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.53 -47.62 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.625 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.54 -38.62 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.454 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.7 -52.46 65.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.269 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 67.1 mtm -55.78 -46.13 78.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -57.62 -35.81 70.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.903 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -31.03 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.3 mt -72.71 -54.52 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 181' ' ' MET . 50.5 mtm180 -54.82 -33.04 61.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 85.1 m -87.3 -59.57 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -70.83 -54.39 11.75 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -57.84 -47.94 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -71.78 -12.46 61.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.401 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 159.48 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.56 108.74 8.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -111.09 150.39 29.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.2 mttm -125.43 112.6 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.106 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.74 131.55 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.46 113.7 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.62 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 84.6 mmm -67.95 98.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.756 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -110.93 157.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 167.14 92.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.003 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' THR . 28.8 t 61.6 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.57 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.37 66.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.012 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.99 27.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.1 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.53 -30.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.23 41.09 0.48 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.254 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.42 -27.43 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 110.759 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 31' ' ' THR . 78.9 p -74.09 -29.5 61.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.628 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.09 -52.56 64.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.879 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -59.56 -24.83 64.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.5 m -72.59 -43.54 63.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.546 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.63 -33.67 71.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.364 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.544 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.3 mm100 -72.65 -36.17 67.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.969 0.414 . . . . 0.0 111.098 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -73.28 -46.55 49.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.508 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.439 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 63.7 mtp -82.51 -50.0 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.49 -24.64 16.56 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.2 m-20 59.4 41.33 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.537 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -141.23 133.55 28.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.783 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -98.9 112.86 24.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.0 t -133.5 148.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -30.7 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' H ' HG12 ' A' ' 40' ' ' VAL . 19.0 t70 -64.56 155.81 31.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -133.95 155.25 50.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -120.04 99.19 48.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.91 156.67 14.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.516 2.144 . . . . 0.0 112.296 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 48' ' ' ALA . 30.4 m -71.54 116.76 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -94.17 28.48 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.602 ' H ' HG22 ' A' ' 46' ' ' THR . . . 61.99 20.2 11.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.228 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.28 135.61 54.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 t -92.02 176.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -119.34 152.54 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -143.96 131.92 21.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -150.02 150.22 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -98.66 118.16 34.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.2 m -136.4 139.32 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.747 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.3 p -77.61 138.28 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.583 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 HH11 ' A' ' 177' ' ' ARG . 54.6 tp -135.51 112.1 10.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 57.2 30.85 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.12 -33.38 5.82 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.828 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 119.71 35.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.762 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.1 tt0 -79.4 137.11 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.15 150.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.875 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.28 130.71 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.452 HD12 ' HE2' ' A' ' 173' ' ' MET . 14.5 tt -108.42 138.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.2 t70 -117.45 113.37 21.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.57 134.75 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -141.8 107.52 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.64 145.91 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.003 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.9 p -129.37 116.82 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 172.11 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.989 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.809 0.337 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -51.89 -41.31 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -54.66 -32.33 59.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.36 -47.91 83.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.42 -28.53 70.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -84.99 -16.75 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.382 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -81.48 -21.7 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.3 t -95.89 1.56 53.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.09 120.31 4.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.569 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.96 -49.56 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.714 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.618 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -104.28 164.26 14.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.269 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -135.44 146.67 48.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.62 102.87 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.807 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 HG12 ' A' ' 126' ' ' VAL . 40.5 t -139.57 122.49 17.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.539 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.4 p90 -128.41 144.81 51.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.836 0.351 . . . . 0.0 110.502 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -87.95 147.59 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.409 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.7 pt -78.36 -35.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.5 p -68.0 -19.63 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.74 99.47 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.02 -16.93 61.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.01 -26.54 62.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 m -67.9 -54.4 19.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.436 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -58.12 -35.41 71.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.699 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.0 p -71.98 -53.83 11.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.671 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -62.56 -39.02 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.733 ' HB ' HD21 ' A' ' 91' ' ' LEU . 12.4 p -58.49 -36.08 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.581 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.54 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 42.3 mt-10 -66.26 -48.95 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -57.26 -25.74 59.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.02 -50.3 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.94 -36.35 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 9.8 mm-40 -61.33 -28.65 69.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.01 -37.01 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -67.85 -26.19 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.626 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 36.9 mmt180 -50.44 -44.34 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.732 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -79.5 -49.2 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -87.3 32.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.37 -22.07 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -89.34 -19.6 25.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -81.47 147.88 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.7 -69.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -87.01 118.41 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 29.9 mm -103.11 104.99 43.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 24.2 Cg_endo -61.7 116.72 3.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.385 2.056 . . . . 0.0 111.769 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 46.5 tp -145.05 158.33 43.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.949 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 25.4 tp -159.46 128.51 5.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.392 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.678 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -104.67 143.86 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.381 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 92' ' ' VAL . 5.1 p -146.4 158.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -122.69 108.87 1.3 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -81.14 -170.53 2.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt 57.76 16.31 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 t -64.23 -15.06 59.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.24 -17.6 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.2 mt -105.92 84.07 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.635 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.497 ' HG2' HH22 ' A' ' 136' ' ' ARG . 40.9 mt-10 -72.58 -13.63 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.083 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.87 -28.7 16.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.303 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.572 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -98.06 17.86 17.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.23 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.497 HH22 ' HG2' ' A' ' 133' ' ' GLU . 45.4 ttm105 -82.87 116.53 22.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.574 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -99.43 -24.03 14.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.37 102.16 20.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.381 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.9 132.44 44.99 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.055 1.837 . . . . 0.0 111.254 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.36 -43.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.721 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 44.6 mt-10 -55.46 -49.72 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.566 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.235 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.457 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.4 mtt180 -73.0 -37.91 66.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -64.79 -46.64 81.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.525 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.438 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.2 OUTLIER -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.377 -179.228 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.678 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.19 -36.04 76.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.751 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.48 -32.53 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -51.76 -45.35 63.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.438 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 11.1 m0 -62.65 -25.5 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.52 18.18 10.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.254 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.74 -176.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.471 . . . . 0.0 111.287 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -124.47 132.53 53.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.543 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -101.14 141.83 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.11 0.481 . . . . 0.0 111.489 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.52 153.77 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.287 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.59 138.31 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -148.55 152.75 37.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.0 p -117.7 109.73 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.22 -8.53 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -79.19 -53.68 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.1 p -86.73 3.24 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.269 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.544 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.06 40.61 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.62 0.575 . . . . 0.0 111.9 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.43 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.174 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.475 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.5 m-20 -111.87 15.0 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -67.09 -34.09 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.717 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.27 -15.53 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.75 -39.95 95.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.193 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 111.695 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -74.74 -45.41 44.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.95 -39.62 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.2 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.505 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 14.4 t70 -59.53 -51.93 67.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.4 tm? -56.77 -43.98 81.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.477 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.0 ttm -55.53 -41.38 73.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 92.4 mtm180 -69.8 -45.65 67.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.623 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -54.73 -48.99 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.618 HD11 ' HA3' ' A' ' 88' ' ' GLY . 78.4 mt -57.93 -32.17 42.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.51 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.56 HH11 HD23 ' A' ' 57' ' ' LEU . 82.7 mtp180 -74.12 -55.48 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.8 m -87.81 -58.79 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -59.19 -54.43 47.0 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 63.4 tttm -62.64 -55.85 23.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.6 mmt -60.22 -12.84 9.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.548 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.809 0.338 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 153.75 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -122.16 111.58 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.375 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -105.04 118.41 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.226 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 87' ' ' GLU . 99.4 mttt -85.46 146.46 26.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG13 HD23 ' A' ' 172' ' ' LEU . 2.0 t -132.22 123.44 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.487 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.3 mm -107.08 107.78 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.17 105.02 2.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.9 p -117.98 156.98 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.795 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 165.57 88.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 104' ' ' THR . 30.1 t 62.11 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.58 45.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.294 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.45 34.88 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.01 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.39 -69.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.95 38.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.252 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -55.99 -55.81 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 111.086 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -56.27 -31.31 63.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.85 -53.04 45.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 19' ' ' MET . 1.2 mt -62.86 -24.84 67.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.9 m -67.18 -47.53 70.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.191 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.38 -29.56 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.6 mm100 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -72.77 -29.59 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.6 -49.79 9.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -107.9 -21.01 13.0 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.1 m-20 62.5 30.74 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.624 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -137.77 128.04 26.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.717 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -77.87 108.96 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.3 t -109.82 151.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -86.38 12.52 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 9.1 m-20 -120.98 120.62 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -103.08 -176.92 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.98 128.39 11.07 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 156.02 64.07 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.433 2.089 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -89.85 127.85 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -134.55 -62.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.41 1.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 48' ' ' ALA . 17.1 t70 -76.95 133.67 39.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -117.83 174.23 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 36.8 m-85 -118.1 144.01 45.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.696 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.02 132.44 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -158.7 144.59 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 61.5 mttp -96.1 132.62 41.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.493 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.24 157.62 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.923 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.61 116.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 tp -120.69 112.91 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' HB2' HH12 ' A' ' 177' ' ' ARG . 11.4 m-20 56.36 31.26 18.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 20.38 64.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.869 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.53 114.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.68 112.78 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.507 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.39 144.04 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 43.5 mt-30 -81.1 143.51 32.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.323 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.449 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.9 tt -115.82 131.08 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.611 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 19.8 t70 -115.82 116.18 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 HG23 ' A' ' 31' ' ' THR . 84.2 mt -112.21 145.81 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.99 105.42 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -69.23 142.02 54.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.7 p -127.93 131.83 49.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.13 -160.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -46.52 -35.36 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -55.06 -41.47 71.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.366 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -54.79 -34.51 62.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -77.24 -22.16 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.698 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -84.52 -20.62 31.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -84.39 -15.45 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -89.64 13.81 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.14 171.45 24.18 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.685 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' A' ' 16' ' ' LYS . 11.8 pt-20 -114.92 -33.89 5.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.16 160.87 13.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.164 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.33 132.09 33.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 168' ' ' VAL . 0.6 OUTLIER -119.33 99.18 6.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.678 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.57 128.11 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.644 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' A' ' 126' ' ' VAL . 54.0 t -141.88 128.09 19.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' HB3' HG21 ' A' ' 104' ' ' THR . 20.8 p90 -125.11 149.98 47.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.269 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.2 t -88.11 141.11 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.2 pt -75.41 -31.84 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 HD12 ' A' ' 132' ' ' LEU . 66.0 p -72.49 -12.32 61.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.853 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -126.09 100.18 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -63.06 -16.08 58.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.92 -26.69 61.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 90.2 p -69.07 -53.83 18.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.282 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.05 -35.92 62.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.449 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.56 -53.98 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.17 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.62 89.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.678 ' HB ' HD11 ' A' ' 91' ' ' LEU . 15.4 p -55.2 -44.72 75.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -45.88 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.0 -25.87 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.177 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.446 ' NE ' ' NE1' ' A' ' 150' ' ' TRP . 8.9 ttm180 -52.0 -46.52 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.93 -39.18 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -60.46 -26.99 67.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -40.64 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.142 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.487 HD22 HG13 ' A' ' 121' ' ' ILE . 41.1 mt -67.8 -26.23 65.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.632 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 4.0 mmp_? -50.61 -50.72 53.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.755 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -69.28 -35.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.86 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -106.04 37.85 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.114 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.16 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.309 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.66 -15.91 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.65 134.37 41.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.44 -50.9 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -87.11 122.64 31.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.487 HG13 HD22 ' A' ' 112' ' ' LEU . 38.0 mm -123.05 109.78 31.55 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.35 130.33 26.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.506 2.138 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -144.42 158.05 43.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.372 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.5 tp -166.13 124.7 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.514 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -102.39 143.33 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.396 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' A' ' 92' ' ' VAL . 3.5 t -141.04 151.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.84 110.5 2.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.244 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.05 -179.32 7.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.797 0.332 . . . . 0.0 110.203 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.415 ' O ' HD11 ' A' ' 95' ' ' ILE . 26.9 mmmt 54.47 19.78 2.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.127 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.8 t -62.85 -10.51 13.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.61 -2.7 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.56 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.9 mt -118.94 79.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.57 -26.57 67.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -83.79 -8.16 59.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.168 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.56 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.8 mtt180 -119.85 17.51 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.234 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.423 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.9 ttm180 -84.72 109.01 17.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.3 -32.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.9 t -92.49 101.86 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.75 132.98 55.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.154 1.903 . . . . 0.0 111.233 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -54.73 -45.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.765 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.8 pt-20 -55.17 -34.65 64.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.39 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.3 tt0 -75.66 -43.88 45.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.83 -28.54 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.287 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtt180 -74.69 -42.13 58.97 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.02 -36.46 81.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -43.84 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.506 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.05 -43.52 95.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.872 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.02 -32.17 20.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.361 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.55 -47.55 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.859 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.446 ' NE1' ' NE ' ' A' ' 108' ' ' ARG . 8.2 m0 -65.81 -13.37 59.37 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 110.728 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.89 26.43 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.634 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.23 -177.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 111.399 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.59 131.32 48.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.498 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.514 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.9 t80 -94.42 134.71 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.102 0.477 . . . . 0.0 111.281 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 126' ' ' VAL . 10.1 p -130.53 152.23 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.432 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -90.66 136.4 33.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 164' ' ' ASN . 82.5 p -147.38 153.17 39.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 0.0 111.716 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.6 m -126.58 109.03 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.91 -8.65 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -88.82 -40.24 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.7 p -96.34 -4.18 42.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? 34.51 41.69 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.997 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.89 -56.21 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.834 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.443 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.43 10.37 19.78 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.4 p -57.27 -43.25 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.76 -27.04 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.451 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -57.03 -31.42 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.176 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.593 HG23 HD11 ' A' ' 90' ' ' LEU . 4.9 m -81.34 -27.28 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -71.61 -48.1 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.604 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -66.17 -30.3 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.93 -45.31 74.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.484 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.491 HD23 HG13 ' A' ' 17' ' ' VAL . 49.1 tp -57.21 -49.93 74.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.65 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD12 ' A' ' 64' ' ' ILE . 61.3 mtm -54.23 -49.74 68.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.742 0.306 . . . . 0.0 111.308 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.82 -34.71 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.776 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.21 -30.33 69.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.05 -54.93 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.577 HH12 ' HB2' ' A' ' 58' ' ' ASP . 61.7 mtp180 -55.62 -31.85 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.487 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.9 m -86.73 -58.69 2.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.479 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 55.6 tttp -70.44 -54.41 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.91 -55.55 33.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.0 mmt -63.08 -12.83 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.785 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.604 0.24 . . . . 0.0 111.397 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 61' ' ' GLU . 84.9 mt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.15 143.43 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -115.4 118.99 34.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -103.88 153.06 21.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.14 146.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.03 128.47 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.586 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.8 mm -113.12 117.07 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.575 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.0 101.15 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.241 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -85.91 170.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.551 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 171.7 158.89 16.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.417 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 100' ' ' SER . 77.7 p -50.22 -34.12 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.112 0.482 . . . . 0.0 110.74 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.93 -5.06 1.69 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.007 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.68 70.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.157 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG13 ' OG ' ' A' ' 94' ' ' SER . 54.0 t -117.21 -66.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.319 . . . . 0.0 111.405 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.57 26.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.282 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.1 pttm -54.43 -52.72 60.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.337 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' THR . 90.8 p -61.1 -30.34 70.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.46 -53.58 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.422 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -24.96 63.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.526 HG23 HG21 ' A' ' 66' ' ' ILE . 31.8 m -63.95 -54.09 40.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.16 -30.01 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.106 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.4 mm100 -61.86 -37.46 84.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.93 -25.71 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.368 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.4 tpp -81.87 -49.72 10.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -104.89 -6.13 20.47 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 55.31 32.22 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -150.28 158.34 44.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.583 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 51.0 t80 -85.65 108.33 17.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 42' ' ' ASP . 60.7 t -114.87 130.59 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.2 -22.87 30.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' H ' HG12 ' A' ' 40' ' ' VAL . 6.6 m-20 -77.09 160.71 28.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.68 -177.82 4.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.22 148.05 43.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.45 148.37 63.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.42 2.08 . . . . 0.0 112.243 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -116.97 129.46 56.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.69 -39.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.45 4.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -77.48 129.74 36.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p -123.31 155.99 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.95 150.3 21.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -146.15 137.81 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -168.95 138.41 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.26 124.56 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.379 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.3 144.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -87.21 141.22 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -141.58 110.28 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 56.09 31.33 17.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.08 -35.15 4.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -89.96 113.93 25.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.5 tt0 -83.11 113.73 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -121.51 146.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.76 137.51 36.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.7 tt -110.95 143.38 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -132.02 113.2 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.296 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 31' ' ' THR . 83.1 mt -104.6 141.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.498 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -134.2 109.87 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.22 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -94.44 136.37 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -104.16 -173.39 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.77 176.86 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -65.16 -46.47 80.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.41 -31.06 54.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -52.76 -51.33 61.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.454 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -62.78 -47.89 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.217 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -62.35 -18.37 61.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -81.6 -45.98 15.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.259 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.5 t -77.49 11.32 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -121.95 167.94 14.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.786 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.85 -63.4 1.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.337 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.95 148.53 19.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.234 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.7 143.25 49.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.3 mt -130.01 111.45 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.8 tp -82.27 138.75 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.95 125.22 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.9 p90 -148.16 141.47 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.588 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.424 ' OG ' HG13 ' A' ' 25' ' ' VAL . 75.4 m -83.85 150.14 25.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.965 0.412 . . . . 0.0 111.101 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 136' ' ' ARG . 40.9 pt -76.84 -33.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.0 t -76.66 -19.91 57.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HG2' HG23 ' A' ' 96' ' ' THR . 19.9 mm-40 -105.61 97.01 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.659 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.4 ' HB2' ' HG2' ' A' ' 137' ' ' GLN . 55.4 t-80 -62.44 -20.29 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.14 -27.02 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 32.4 m -69.16 -53.85 17.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.301 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.28 -41.91 76.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.87 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -70.65 -53.41 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.181 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.92 -44.63 94.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.323 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.576 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.4 p -57.4 -32.26 66.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.44 -31.71 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.678 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 48.2 mt-10 -68.29 -43.78 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -55.65 -25.0 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.93 -52.02 59.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.74 -37.36 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.17 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.473 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 12.4 mm-40 -56.5 -35.7 68.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.76 -40.32 86.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.3 -26.04 66.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.73 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 32.4 mmt180 -51.45 -50.86 58.94 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -68.52 -35.09 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 111.122 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.9 mmtt -97.24 60.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.695 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.65 -15.54 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.98 -23.96 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 8.9 tp10 -85.25 155.0 21.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.741 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -106.84 -67.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.504 ' HE2' ' HE3' ' A' ' 179' ' ' LYS . 12.4 tptm -76.82 108.78 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.324 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mm -105.35 116.81 59.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.445 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.34 117.66 5.19 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.267 1.978 . . . . 0.0 111.796 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -142.05 158.12 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.0 111.233 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.71 130.75 7.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.867 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.51 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -104.98 143.36 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 111.786 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.413 ' HB ' HG11 ' A' ' 168' ' ' VAL . 2.7 p -132.93 162.81 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.023 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.03 125.9 5.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.859 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -97.6 -179.46 4.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.798 0.332 . . . . 0.0 110.369 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HB3' HD12 ' A' ' 132' ' ' LEU . 73.6 mmtt 56.75 25.34 10.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 73.8 m -62.62 -20.14 64.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.8 -3.42 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.4 mt -105.53 78.69 1.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.077 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.87 -19.04 61.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.2 pt-20 -93.79 -34.53 13.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 95.5 mtt180 -87.14 0.39 55.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.37 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.441 ' HB2' HD12 ' A' ' 95' ' ' ILE . 43.8 ttm105 -59.72 107.99 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.913 0.387 . . . . 0.0 111.081 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' A' ' 98' ' ' HIS . 6.1 tp-100 -88.16 -28.37 21.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.9 t -113.5 107.75 52.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.883 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.62 126.07 21.15 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.212 1.941 . . . . 0.0 111.74 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.489 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.2 p -47.39 -43.06 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.81 -48.81 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.48 -34.72 78.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.716 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.01 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 72.5 mtt180 -75.76 -47.74 24.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -52.7 -41.44 63.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -76.72 -47.53 21.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 146' ' ' LYS . . . -51.12 -27.98 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.047 0.451 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.41 -32.08 69.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.924 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' A' ' 146' ' ' LYS . 30.3 mt-10 -50.46 -46.54 56.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 110.798 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.479 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 35.9 m0 -66.62 -24.7 66.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.43 19.41 9.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.393 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.94 178.23 3.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 111.728 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.64 127.18 53.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.696 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.51 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.2 t80 -94.83 141.88 28.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.45 . . . . 0.0 111.511 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 156' ' ' GLU . 43.5 t -137.24 154.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 155' ' ' VAL . 42.0 mt-10 -89.58 142.45 27.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -149.59 162.12 40.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.3 t -132.4 111.33 11.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.09 -6.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.54 -43.63 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 36.4 p -92.36 -7.82 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.322 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? 35.89 39.29 0.07 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.974 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.03 -56.07 5.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.29 15.89 20.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.13 -40.74 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.648 0.261 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.07 -14.53 61.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -62.3 -44.16 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.413 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.2 m -71.34 -31.9 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.775 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -68.26 -48.34 65.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.82 -40.5 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.376 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.02 -51.06 70.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.014 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.61 -40.47 91.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.9 ttp -56.68 -38.29 72.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.9 -34.2 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -59.04 -47.95 83.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 66.8 mt -57.51 -32.7 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -75.29 -57.51 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.3 m -87.38 -58.93 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.504 ' HE3' ' HE2' ' A' ' 120' ' ' LYS . 80.8 tttt -58.1 -54.08 51.05 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 55.7 tttp -63.15 -56.05 20.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.96 -12.77 20.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.784 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.48 167.21 10.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.436 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.78 100.36 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.321 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.439 ' NE2' ' HG2' ' A' ' 177' ' ' ARG . 74.5 m-70 -106.92 128.17 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.779 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -100.33 138.23 37.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.2 140.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.019 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.9 mm -106.54 129.73 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 tpt -82.03 104.5 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.3 t -92.92 163.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.75 164.18 26.93 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.377 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 17.9 t -49.54 -45.93 48.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 111.035 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.28 -3.97 1.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.228 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.72 18.68 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 22' ' ' SER . 72.3 t -73.4 -71.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.18 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.19 45.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -49.77 -48.2 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.383 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 31' ' ' THR . 98.0 p -63.91 -29.88 71.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.408 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.68 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.201 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -64.13 -24.87 67.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 28' ' ' SER . 74.5 m -71.36 -41.28 69.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.663 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.89 -44.59 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.479 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -57.84 -39.3 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.379 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.26 -25.58 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 tpp -82.32 -50.24 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -108.59 -9.94 15.27 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 23.3 t70 60.9 32.47 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 0.0 110.469 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -149.15 154.93 39.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -92.23 108.25 19.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.97 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.25 142.87 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.63 101.97 14.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.05 130.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -140.46 137.42 33.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.1 mm-40 -122.96 138.7 30.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 31.9 Cg_exo -58.87 153.68 49.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.313 2.009 . . . . 0.0 112.185 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -82.01 104.58 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -111.17 42.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 63.71 11.95 6.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.308 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.64 125.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.779 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.9 p -111.79 158.95 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -95.33 160.53 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -145.46 130.44 18.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -138.71 150.14 45.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -104.84 131.95 51.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.966 0.412 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -147.34 138.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -81.47 135.47 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.6 mt -133.35 108.25 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 54.25 30.73 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.26 -34.29 5.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.831 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -90.15 113.57 25.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.9 tt0 -84.06 118.94 24.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.642 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -116.68 173.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.247 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -109.6 142.75 40.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.441 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -114.74 128.03 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -113.26 117.08 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 31' ' ' THR . 62.9 mt -114.45 138.93 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -138.16 130.58 29.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.96 116.45 28.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.2 p -80.91 -20.16 42.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -174.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.407 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.88 0.372 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.29 -48.77 80.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.03 -34.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.48 -34.66 71.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -75.52 -33.53 60.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.728 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -79.31 -19.62 49.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.357 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.401 ' N ' HG11 ' A' ' 114' ' ' VAL . 57.9 ttt180 -83.54 -4.97 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.244 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -105.52 -1.67 24.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -117.69 157.11 15.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.815 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 44.9 mt-10 -104.79 -8.68 18.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -131.99 159.46 23.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -136.56 133.75 36.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.575 0.226 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.64 109.45 9.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.949 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.658 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 3.5 tp -83.51 132.21 34.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.718 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG13 HG13 ' A' ' 126' ' ' VAL . 26.4 t -136.91 139.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 18.4 p90 -157.23 146.96 20.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.3 m -86.89 153.71 21.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.526 HD13 ' HE ' ' A' ' 136' ' ' ARG . 10.9 pt -78.55 -40.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.161 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 95' ' ' ILE . 18.3 p -56.4 -27.11 55.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -109.25 86.79 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.0 -16.83 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.17 -27.05 60.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.208 0.527 . . . . 0.0 110.084 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.582 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 49.7 m -63.08 -47.82 81.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.493 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.57 -40.34 71.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.017 0.437 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 33.6 p -71.54 -51.59 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.691 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.148 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.3 p -57.06 -31.81 65.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.058 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.64 -44.21 91.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -60.81 -25.73 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.31 -41.95 66.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.56 -35.97 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -61.88 -35.43 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.39 -42.46 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.577 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.51 -26.27 66.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.868 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -57.06 -51.38 69.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 111.601 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.9 m -68.09 -24.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.045 0.45 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.1 mmtt -118.82 57.15 0.88 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.384 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.31 30.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.417 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.41 -49.52 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.158 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HA ' HD11 ' A' ' 121' ' ' ILE . 37.5 tt0 54.76 99.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.075 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.11 -43.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.822 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.06 81.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 118' ' ' GLU . 15.8 mm -88.9 109.73 32.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.594 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.58 97.22 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.458 2.105 . . . . 0.0 111.522 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.543 ' HB3' HG11 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -122.83 149.59 43.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.3 tp -158.61 125.54 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.218 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.649 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -102.92 143.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.996 0.427 . . . . 0.0 111.888 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.594 ' HB ' HG11 ' A' ' 168' ' ' VAL . 9.5 p -143.51 160.03 16.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.975 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 126' ' ' VAL . . . -116.45 136.97 13.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.105 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -107.93 -179.16 3.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.455 ' NZ ' HG21 ' A' ' 96' ' ' THR . 2.7 mmmp? 54.1 22.53 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -65.65 -8.62 21.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -4.42 7.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 81.24 1.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -12.58 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.652 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -93.89 -8.73 39.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -121.62 15.54 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.1 ttm105 -77.81 108.27 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.07 -32.77 18.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 95' ' ' ILE . 2.5 p -95.47 101.67 8.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.48 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 24.3 Cg_endo -61.93 131.68 36.14 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.143 1.895 . . . . 0.0 111.738 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -52.91 -41.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.5 -49.88 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.555 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.0 tt0 -72.59 -29.54 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.55 -28.57 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 31.7 mtt180 -73.85 -41.61 62.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.2 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -61.74 -45.52 93.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -47.6 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.949 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.649 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.97 -29.13 68.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.94 -32.25 73.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -51.9 -43.49 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.78 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -64.49 -24.93 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 27.41 5.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.543 HG11 ' HB3' ' A' ' 123' ' ' LEU . 31.4 m -128.49 -178.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.274 0.559 . . . . 0.0 112.193 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -120.06 144.91 47.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.102 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.5 t80 -113.63 138.27 50.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.228 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.87 153.73 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.401 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.4 p -149.68 163.03 39.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.991 0.425 . . . . 0.0 111.614 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -127.39 110.9 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.522 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.18 -8.99 9.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.567 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.61 -45.09 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 56.0 p -87.38 -5.71 58.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 34.96 40.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.011 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.67 -56.28 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.855 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.659 ' HB2' HG22 ' A' ' 157' ' ' THR . 91.1 m-20 -112.41 18.63 18.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 168' ' ' VAL . 6.3 p -65.6 -39.09 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.8 -15.29 61.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -59.9 -38.17 81.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.871 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.594 HG11 ' HB ' ' A' ' 126' ' ' VAL . 33.9 m -76.96 -29.37 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -72.66 -44.74 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -72.0 -45.36 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.2 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.38 -47.65 83.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.75 -37.77 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.7 ttp -58.47 -49.18 78.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -58.54 -34.62 71.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.3 mm-40 -63.6 -49.49 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 180' ' ' LYS . 71.6 mt -57.79 -32.11 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 49.1 mtp180 -74.55 -54.78 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.677 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 182' ' ' SER . 75.4 m -87.98 -59.41 2.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.7 tttt -58.57 -54.12 50.65 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 176' ' ' ILE . 65.1 tttm -65.93 -38.89 89.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.8 mmt -81.09 -12.55 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.78 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 178' ' ' THR . 88.6 p . . . . . 0 C--O 1.233 0.191 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.1 158.13 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -117.6 121.6 41.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.041 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -116.82 149.49 39.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 67.4 mttm -126.86 102.72 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.78 127.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HA3' ' A' ' 86' ' ' GLY . 25.6 mm -101.1 126.18 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.491 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.6 tpt -79.06 94.26 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -80.09 166.97 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 178.18 157.92 19.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.393 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 104' ' ' THR . 56.6 p -55.12 -49.74 70.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.49 -25.88 0.59 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.209 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.85 60.95 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.206 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.5 t -118.73 -69.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.693 0.283 . . . . 0.0 111.365 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.42 47.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 16.2 ptpt -54.37 -38.66 66.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 110.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 66.3 p -67.02 -29.8 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.161 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.4 65.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.061 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -62.53 -24.8 67.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 63.8 m -73.9 -39.08 64.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.752 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.93 -49.14 48.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.717 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.606 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.9 mm100 -53.73 -35.89 61.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.279 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.578 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.2 ttm -82.16 -50.24 9.25 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.04 -15.8 9.23 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.91 58.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.309 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -151.23 127.59 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.95 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -93.32 107.39 19.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.8 p -131.62 147.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.75 -13.58 61.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 40' ' ' VAL . 19.1 t70 -76.66 149.26 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -150.68 149.46 29.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -115.43 123.47 31.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.33 153.6 70.67 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.326 2.017 . . . . 0.0 112.178 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.9 m -117.42 127.23 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -105.65 -51.2 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.43 -2.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.911 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.37 136.93 37.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -115.09 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -113.6 141.2 47.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.303 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 41.4 ttp180 -145.99 136.0 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.81 172.23 17.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.534 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.86 128.59 56.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.15 137.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.877 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.53 139.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 HH11 ' A' ' 177' ' ' ARG . 53.5 tp -137.08 105.72 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 32.65 19.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.43 -33.52 6.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.359 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.82 114.16 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -85.44 130.78 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.76 149.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.7 tt -109.14 137.3 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.6 t70 -121.91 114.23 20.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG21 HG23 ' A' ' 31' ' ' THR . 71.7 mt -104.41 140.29 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 111.569 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -129.72 113.62 14.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.79 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -138.12 177.66 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.01 -171.48 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.314 179.645 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.867 0.365 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -46.69 -47.48 20.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.225 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -53.44 -35.77 60.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.82 -48.52 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -59.32 -50.06 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.411 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.82 -18.9 63.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.184 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -77.77 -35.77 51.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -81.32 1.1 34.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.47 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -116.4 160.03 13.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.838 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.67 -62.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.562 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.33 163.34 32.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.246 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 33.1 m-85 -136.9 143.07 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 0.0 111.055 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -134.03 110.66 9.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 8.4 tp -82.26 136.44 35.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.253 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 126' ' ' VAL . 26.9 t -135.52 134.57 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.5 p90 -152.31 154.67 36.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.474 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.444 ' OG ' HG13 ' A' ' 25' ' ' VAL . 52.5 m -100.98 149.56 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.024 0.44 . . . . 0.0 111.319 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 ' HE ' ' A' ' 136' ' ' ARG . 8.6 pt -75.43 -34.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.877 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -58.18 -40.62 81.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.672 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.26 100.45 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.693 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -62.83 -17.78 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.7 -26.82 60.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.445 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.1 m -63.69 -53.87 44.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.59 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.69 -38.92 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.833 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -71.41 -53.42 14.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.074 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.21 -43.44 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.147 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 93' ' ' PHE . 8.7 p -53.86 -37.42 63.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 110.645 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.35 67.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 45.9 mt-10 -62.0 -44.1 97.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -55.82 -31.27 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.433 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.51 -48.51 62.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.87 -40.22 72.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 66.5 mm-40 -60.23 -25.51 65.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.9 mt -69.79 -39.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.56 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.28 -26.39 66.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.724 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -51.12 -50.98 57.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.751 0.31 . . . . 0.0 111.762 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.1 m -69.67 -41.99 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.659 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.598 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.2 mmtt -93.23 31.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.313 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.94 -20.43 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.33 -19.29 22.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.91 177.46 6.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.34 -72.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -70.06 125.28 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.1 mm -123.57 104.37 34.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.312 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.96 123.42 12.56 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.422 2.081 . . . . 0.0 111.761 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 62.5 tp -144.28 156.34 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 tp -163.41 125.93 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -101.24 143.83 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 92' ' ' VAL . 13.0 p -140.38 148.12 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.94 131.43 10.55 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.908 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -100.34 -176.47 3.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 46.0 mmtm 56.84 23.4 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -60.2 -26.21 66.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.685 0.279 . . . . 0.0 111.479 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.26 -8.89 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 135' ' ' ARG . 50.2 mt -112.35 79.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.71 -29.15 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -76.79 -17.65 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.9 mtt180 -106.9 9.43 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.508 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.3 ttm105 -77.88 113.22 15.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -93.99 -30.33 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.03 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 72.6 t -104.92 107.86 59.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.416 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 25.0 Cg_endo -62.6 144.99 95.22 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.177 1.918 . . . . 0.0 111.375 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -55.68 -43.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.818 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.78 -49.58 74.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.64 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.61 -30.97 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.07 55.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.1 mtt180 -68.04 -44.51 76.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.375 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -61.19 -51.55 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.17 86.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.54 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.627 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.92 -32.57 72.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -52.82 -41.55 64.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -68.78 -22.58 64.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.86 31.97 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.443 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -133.37 -176.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.087 0.47 . . . . 0.0 111.409 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -125.41 133.09 52.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.793 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -98.18 142.72 29.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.165 0.507 . . . . 0.0 111.836 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.6 150.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.892 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.67 138.7 31.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.443 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.611 HG22 ' HB2' ' A' ' 164' ' ' ASN . 47.0 p -148.22 159.03 44.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -132.3 110.62 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.468 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.32 -9.68 2.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.479 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.6 p -90.19 -3.31 57.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.459 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? 33.6 40.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.57 0.543 . . . . 0.0 111.972 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -56.12 4.72 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.611 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.06 16.58 20.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.669 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.1 p -66.99 -42.08 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.703 0.287 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.89 -18.95 60.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -67.34 -31.74 72.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.338 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.7 m -73.11 -29.6 29.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 111.377 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -75.31 -45.21 41.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -72.01 -32.24 66.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.76 -53.86 23.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.043 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 176' ' ' ILE . 67.1 tp -64.07 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.5 ttm -54.35 -44.88 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -67.22 -38.67 85.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.14 -28.58 69.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 92.3 mt -72.2 -51.53 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.406 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.457 HH11 HD23 ' A' ' 57' ' ' LEU . 11.4 ptm180 -73.68 -25.59 60.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.94 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 56.6 m -88.6 -60.02 2.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -71.61 -54.83 9.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -60.34 -53.72 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -60.56 -20.31 60.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 0.0 111.654 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 111.035 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.67 168.82 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -134.17 107.45 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.995 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -107.62 152.4 24.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.8 mttt -129.55 139.91 51.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -121.27 131.74 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.556 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.6 mm -111.06 114.44 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.33 93.62 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.994 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 21' ' ' GLY . 10.8 p -103.9 163.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.32 -160.77 31.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.779 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.607 ' N ' HG22 ' A' ' 104' ' ' THR . 27.5 t -62.37 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.945 0.402 . . . . 0.0 111.047 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.83 -16.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.393 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.24 52.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.663 HG21 ' HA ' ' A' ' 93' ' ' PHE . 55.0 t -106.29 -37.78 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.64 53.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.722 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.686 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -73.7 -24.3 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.614 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.8 p -77.54 -29.43 52.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.36 -52.91 42.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.634 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 92' ' ' VAL . 2.0 mt -55.68 -25.74 41.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 28' ' ' SER . 41.2 m -68.47 -57.57 5.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.416 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.3 -29.43 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.4 mm100 -71.04 -43.68 67.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.393 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.73 -29.06 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 31' ' ' THR . 79.9 mmm -81.75 -47.61 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -97.52 -7.68 30.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 30.88 15.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.039 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -161.33 159.28 28.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.568 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.458 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 43.7 t80 -90.26 107.1 18.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.091 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -142.95 146.07 22.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -95.34 132.99 39.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.68 -42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.1 t80 59.69 98.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -145.85 108.55 4.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.37 139.96 67.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.247 1.964 . . . . 0.0 112.035 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -107.51 143.44 35.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -136.46 -30.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.433 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.53 -8.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.1 m-20 -73.49 134.19 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.015 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -133.99 159.17 41.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -99.11 163.26 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -151.07 144.69 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.717 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -163.85 173.4 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.84 127.22 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.8 147.26 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -90.65 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 57.2 tp -143.15 112.14 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 59.11 31.05 20.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.01 80.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.81 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.74 114.08 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.72 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -78.71 135.21 37.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.33 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.89 146.83 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.914 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.02 121.56 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -107.43 140.02 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.326 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.7 t70 -118.55 120.5 37.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.219 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.474 HG13 ' SD ' ' A' ' 35' ' ' MET . 19.8 mm -95.18 137.7 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.32 99.76 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.355 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 7.2 p-10 -92.83 140.79 29.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -108.78 -177.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.27 168.64 15.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.549 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.713 0.292 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.92 -36.44 72.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.411 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.01 -36.9 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.06 -43.1 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.674 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -62.61 -44.61 95.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -63.76 -25.28 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -84.38 -16.55 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -86.75 6.52 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.378 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.556 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.97 173.95 24.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.8 -31.01 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.543 ' HA2' ' HB2' ' A' ' 122' ' ' PRO . . . -104.52 156.15 17.21 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.562 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -136.12 134.64 38.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.8 mt -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.037 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.25 123.05 28.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.947 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 30' ' ' LEU . 15.5 t -127.42 138.73 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HA ' HG21 ' A' ' 25' ' ' VAL . 16.6 p90 -151.06 140.44 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.562 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 t -81.46 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.013 0.435 . . . . 0.0 111.463 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD13 ' HE ' ' A' ' 136' ' ' ARG . 29.1 pt -73.43 -33.51 40.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.568 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 132' ' ' LEU . 67.8 p -62.99 -22.28 66.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.16 0.505 . . . . 0.0 109.886 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -124.41 87.66 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.46 -16.37 23.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.8 -27.02 68.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.086 0.47 . . . . 0.0 110.27 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 104' ' ' THR . 23.4 m -73.34 -39.23 65.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.787 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -50.91 -49.56 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.875 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -72.29 -48.8 39.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.799 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.7 67.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.661 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 91' ' ' LEU . 35.7 p -62.56 -31.42 72.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.814 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.42 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.232 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.78 -41.33 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.539 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.68 -24.7 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -49.81 -49.13 49.94 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.47 -34.0 71.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.77 -38.27 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.94 -43.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.506 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -26.23 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.938 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -51.18 -50.22 59.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.0 m -74.15 -42.16 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.691 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.577 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.8 mmtt -93.95 38.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.839 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.63 -10.96 56.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.398 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -101.61 -10.94 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -98.97 156.04 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -97.37 -66.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -79.38 115.91 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.5 mm -109.82 109.57 59.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 49.1 Cg_exo -55.65 106.29 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.31 2.007 . . . . 0.0 112.012 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.2 tp -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.966 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.481 ' HB3' HD23 ' A' ' 90' ' ' LEU . 45.9 tp -160.66 113.4 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.655 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.8 p -83.4 144.5 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.617 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.446 HG12 HG22 ' A' ' 92' ' ' VAL . 4.3 p -148.27 161.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.34 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.58 128.97 6.93 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.869 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -97.11 -176.73 3.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.373 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 96' ' ' THR . 26.5 mmmt 57.0 25.72 11.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.4 t -63.37 -19.52 64.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.227 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.14 -9.32 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.583 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.5 mp -109.91 85.02 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.11 -43.04 62.26 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.552 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.83 -6.74 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.861 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.583 ' HD3' HD23 ' A' ' 132' ' ' LEU . 18.4 mtp180 -118.85 3.65 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HE ' HD13 ' A' ' 95' ' ' ILE . 40.2 ttm180 -69.68 107.91 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.477 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -91.04 -32.79 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 95' ' ' ILE . 1.8 p -95.43 104.15 14.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.11 126.52 18.89 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.177 1.918 . . . . 0.0 111.695 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.8 p -50.38 -41.27 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.316 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.09 -48.58 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.507 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -69.9 -43.31 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.51 69.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 45.6 mtt180 -72.21 -43.46 64.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.6 t -58.42 -38.82 78.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -75.98 -47.9 23.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.89 -41.59 67.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.879 0.371 . . . . 0.0 111.559 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.69 -30.83 67.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.052 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.31 -44.55 54.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 33.0 m0 -67.55 -26.26 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.0 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.0 15.67 17.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.733 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.66 -175.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -124.78 128.65 49.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.467 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.579 ' HA ' HG13 ' A' ' 125' ' ' VAL . 44.8 t80 -94.71 139.87 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 111.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.03 154.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.456 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.13 146.83 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.714 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.5 p -151.37 152.74 33.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.468 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.7 m -121.35 110.31 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.56 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.4 -2.77 14.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.521 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.08 -55.55 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.8 t -85.7 -1.31 57.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.08 38.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.206 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.63 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.757 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -108.47 16.1 23.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.77 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -68.79 -36.89 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.92 -15.04 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -60.72 -39.8 89.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 165' ' ' VAL . 31.3 m -72.05 -26.78 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -74.4 -46.34 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -72.49 -43.68 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.537 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.03 -49.7 75.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.12 -32.47 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 50.6 ttm -57.56 -39.62 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' HD21 ' A' ' 57' ' ' LEU . 72.7 mtm180 -69.43 -38.5 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.21 -47.56 80.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.321 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 83.0 mt -57.4 -34.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.375 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 80.0 mtp180 -75.93 -51.23 12.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.075 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 182' ' ' SER . 37.5 m -87.4 -59.15 2.33 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -61.93 -54.14 46.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.8 tttm -62.93 -54.74 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -62.52 -12.71 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.573 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' THR . 44.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.54 177.05 6.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.71 103.53 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -106.44 121.56 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.788 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.5 mttt -100.64 127.1 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.13 136.89 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -112.81 125.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.285 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.443 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -67.51 91.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.378 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.52 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.87 -158.29 28.97 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.418 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 104' ' ' THR . 73.2 p -66.48 -48.35 70.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.127 0.489 . . . . 0.0 110.347 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.17 32.74 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.151 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 25' ' ' VAL . . . 156.72 -96.81 0.16 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.789 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' A' ' 93' ' ' PHE . 5.3 m 47.61 14.85 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.139 0.576 . . . . 0.0 112.451 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.16 35.77 37.22 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.975 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.0 ptpt -59.87 -28.93 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 54.4 p -72.4 -28.76 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.519 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.77 -50.3 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.616 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.713 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -61.19 -25.3 66.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 66' ' ' ILE . 28.3 m -71.47 -42.82 67.66 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.432 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.726 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.2 mm100 -55.54 -41.33 73.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.36 . . . . 0.0 111.39 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.26 -25.38 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.475 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.4 ttm -82.18 -49.76 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.33 -2.8 11.06 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.9 m-20 56.22 41.61 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.47 140.88 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.624 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -81.2 118.53 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -126.42 145.94 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.33 -34.74 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.144 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -59.07 120.21 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -121.08 146.03 47.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -134.26 100.47 12.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.52 156.55 11.06 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.529 2.153 . . . . 0.0 112.514 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -125.04 149.05 48.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.289 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -85.64 -51.19 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.738 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.01 -1.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.11 136.59 41.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.8 p -110.87 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 43.3 m-85 -109.6 150.46 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.491 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -139.42 144.88 38.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.427 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -161.85 155.54 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.539 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.51 131.57 40.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.025 0.44 . . . . 0.0 111.418 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -146.37 137.37 18.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.2 p -89.72 144.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.077 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 tp -138.69 106.4 5.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 56.63 31.71 19.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.03 -37.4 3.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.592 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -87.53 114.31 24.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.3 tt0 -82.67 116.26 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.72 143.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -81.52 128.41 33.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 tt -105.5 135.86 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.524 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 17.2 t70 -125.96 115.79 20.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 31' ' ' THR . 74.0 mt -103.6 131.09 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 68' ' ' ASP . 8.2 tp -137.77 131.29 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 67' ' ' LEU . 28.9 t70 -171.31 154.33 3.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.458 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 m -151.19 73.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.77 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.548 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.794 179.513 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.895 0.378 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -62.9 -34.61 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -52.38 -35.16 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -70.83 -46.92 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.11 -29.55 70.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -77.06 -28.58 54.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.9 p -87.86 12.03 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HG12 ' A' ' 18' ' ' ILE . . . -128.94 134.0 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.59 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.04 -51.98 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -101.6 170.06 20.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.412 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -136.34 137.99 41.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.692 0.282 . . . . 0.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 124' ' ' LEU . 33.6 mt -123.21 104.4 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -82.74 128.86 34.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.651 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -135.01 139.69 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.387 . . . . 0.0 112.041 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.774 ' HB3' HG21 ' A' ' 104' ' ' THR . 25.6 p90 -146.78 162.97 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 49.6 m -99.24 132.44 44.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.458 HD11 ' O ' ' A' ' 129' ' ' LYS . 21.2 pt -64.02 -31.94 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.3 t -81.81 -3.14 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 15.6 mm-40 -123.27 90.35 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.16 -15.98 58.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.37 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.36 -26.84 62.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -77.57 -45.36 25.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.487 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -49.7 -40.16 39.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.722 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.5 p -72.61 -54.96 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -58.47 -43.12 88.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.774 HG21 ' HB3' ' A' ' 93' ' ' PHE . 21.3 p -54.13 -40.61 67.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 110.181 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.87 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.887 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 11.1 tp10 -70.65 -29.15 65.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.966 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.03 -27.58 54.58 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -52.0 -43.17 63.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.55 -29.96 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.77 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -70.1 -32.63 70.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.98 -43.99 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.297 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.53 -26.61 66.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.5 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -62.23 -50.5 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.347 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.98 -11.23 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.061 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.7 mmtt -127.05 58.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.97 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.05 22.63 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.681 -179.554 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -137.55 -45.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.003 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 180' ' ' LYS . 42.9 tptt -157.89 78.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.001 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.21 117.75 20.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.982 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.492 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.1 Cg_endo -86.5 100.8 0.58 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.511 2.14 . . . . 0.0 111.73 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.1 tp -111.39 166.48 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.067 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.5 ' HB3' HD23 ' A' ' 90' ' ' LEU . 54.3 tp -166.43 122.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.405 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.574 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -101.13 142.82 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 111.546 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 168' ' ' VAL . 16.4 t -143.56 150.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.664 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.68 128.15 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -100.21 -167.0 1.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.529 0.204 . . . . 0.0 110.475 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 95' ' ' ILE . 11.2 mmmm 62.38 18.23 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 69.5 m -57.7 -26.49 61.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.44 -19.19 13.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 135' ' ' ARG . 26.1 mt -101.38 79.76 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.507 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.84 -14.44 61.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.32 -18.01 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -103.21 4.78 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.78 107.8 9.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.365 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -94.62 -29.29 14.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.7 t -92.84 110.27 44.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 125.09 17.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.973 1.782 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.98 -45.34 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.335 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 16.9 mm-40 -60.08 -42.46 94.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.933 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -31.0 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.65 -31.44 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.5 mtt180 -71.83 -39.61 69.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -63.16 -50.04 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.54 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.0 OUTLIER -62.37 -48.15 81.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 111.181 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.99 -31.98 52.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.6 -48.55 63.19 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.729 0.3 . . . . 0.0 110.75 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.54 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 19.6 m0 -66.69 -23.42 66.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.051 0.453 . . . . 0.0 110.323 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.32 27.32 5.88 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.779 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.88 -175.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 111.778 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -131.1 129.55 42.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.574 ' HD1' HG22 ' A' ' 125' ' ' VAL . 43.9 t80 -94.97 141.29 28.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.28 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.06 154.84 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.686 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.3 145.82 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.304 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 164' ' ' ASN . 26.6 p -152.8 174.9 13.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 111.854 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -152.87 110.61 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.73 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -65.46 -5.67 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -91.16 -37.75 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -96.62 -5.85 38.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.15 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.543 0.527 . . . . 0.0 111.659 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.27 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.603 ' HB2' HG22 ' A' ' 157' ' ' THR . 71.5 m-20 -111.79 12.09 20.94 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -59.45 -41.57 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.85 -21.44 60.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.113 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -69.09 -30.92 69.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.832 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -72.69 -30.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.357 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -74.68 -45.27 45.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.18 -33.08 67.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.93 -47.44 80.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.361 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.8 tp -72.59 -32.43 65.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -55.46 -41.05 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.55 -34.35 75.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 14.0 mm-40 -63.62 -48.98 75.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.3 mt -57.07 -32.18 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 181' ' ' MET . 78.4 mtp180 -74.72 -58.45 3.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 182' ' ' SER . 59.4 m -87.8 -58.93 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 55.0 tttp -55.83 -54.06 49.2 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 88.0 tttt -64.4 -58.26 6.97 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -59.88 -14.05 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 178' ' ' THR . 43.2 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.819 0.342 . . . . 0.0 110.605 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.22 178.42 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.946 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -140.47 105.34 4.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -106.23 131.59 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -111.81 106.69 15.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 111.457 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.68 135.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.086 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.476 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.31 139.47 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.47 89.92 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.0 p -97.71 153.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 27' ' ' LYS . . . -173.29 -160.61 22.11 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.576 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 p -69.88 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.12 33.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.21 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.01 60.72 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 93' ' ' PHE . 25.0 t -116.68 -43.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.04 48.44 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 21' ' ' GLY . 20.6 mmtp -55.53 -39.98 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.096 0.474 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.2 p -69.64 -29.74 67.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.579 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.62 -53.23 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -64.33 -24.18 67.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' SER . 77.6 m -73.93 -38.69 64.19 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.292 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.69 -49.27 41.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.658 HE22 ' HA ' ' A' ' 39' ' ' PHE . 9.8 mm-40 -54.59 -40.62 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.733 0.301 . . . . 0.0 111.165 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -72.71 -25.0 61.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.639 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.7 tpp -81.16 -49.57 10.66 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -118.12 3.59 12.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.4 m-20 55.15 35.6 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HA ' ' NH1' ' A' ' 162' ' ' ARG . 40.5 tt0 -148.12 150.9 34.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' HA ' HE22 ' A' ' 33' ' ' GLN . 86.3 t80 -92.46 124.03 36.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.04 146.99 32.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -82.68 -38.22 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.2 173.85 12.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 111.303 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -162.29 -176.22 4.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 19.7 mm-40 -126.91 135.91 28.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.8 Cg_exo -60.38 152.99 63.26 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.355 2.037 . . . . 0.0 111.983 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 m -110.42 124.97 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.231 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.25 -45.48 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.54 -9.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.59 130.16 40.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -111.79 153.75 26.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 65.3 m-85 -96.21 120.66 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.725 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 49.4 ttp180 -128.08 149.59 50.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -164.73 164.71 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -100.9 126.55 47.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.08 157.17 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.226 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.2 p -105.62 143.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -141.43 111.73 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.04 31.12 19.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.0 15.18 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.926 -0.655 . . . . 0.0 112.649 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -89.97 114.15 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -83.67 120.03 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.07 175.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.08 147.89 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.9 tt -126.11 134.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.7 t70 -123.15 114.91 20.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG21 HG23 ' A' ' 31' ' ' THR . 69.3 mt -104.93 137.56 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.61 110.89 11.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.13 146.45 35.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -138.79 114.42 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.34 177.43 5.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.751 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -46.27 -43.43 15.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.207 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 10.1 m-20 -53.81 -43.5 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.93 -44.9 78.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.442 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -60.3 -33.23 72.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB2' HG11 ' A' ' 114' ' ' VAL . 48.8 m-85 -80.08 -24.62 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 98.2 mtt180 -74.96 -22.68 58.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.1 p -93.95 10.21 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -133.81 159.79 23.83 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.88 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -103.93 -54.7 2.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.61 161.35 29.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.19 138.3 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 168' ' ' VAL . 1.8 tt -131.95 106.28 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -83.0 132.82 35.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.024 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.71 137.91 48.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.512 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.1 p90 -152.03 149.52 28.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.656 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.51 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 53.4 m -74.48 141.68 44.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 96' ' ' THR . 28.0 pt -76.92 -36.26 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.211 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 95' ' ' ILE . 4.9 t -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 0.6 OUTLIER -101.43 94.62 6.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.706 179.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -14.99 50.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.13 -27.22 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 77.6 p -77.95 -43.43 29.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.702 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -56.65 -34.67 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.001 0.429 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -72.3 -53.76 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.998 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.55 91.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.663 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.0 p -56.99 -31.64 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.7 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.64 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.75 -46.67 81.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.034 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.28 -24.8 63.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.545 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.5 tmt_? -51.38 -54.67 24.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.214 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.07 -29.79 66.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.537 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 78.6 mt-30 -63.67 -31.0 72.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.988 0.423 . . . . 0.0 110.36 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.03 -39.15 82.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.607 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.99 -26.92 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -57.24 -50.6 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.701 -179.586 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.622 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.15 -22.96 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.83 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.622 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -121.61 39.4 3.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.05 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.462 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.66 -37.77 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.42 135.31 34.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.88 -37.18 40.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.2 mptm? -89.48 128.72 36.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.8 mm -126.67 105.71 23.45 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 35.5 Cg_endo -65.2 106.4 0.81 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.329 2.019 . . . . 0.0 112.11 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -126.87 160.44 30.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.4 OUTLIER -168.43 127.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.78 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.564 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -105.66 143.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.978 0.418 . . . . 0.0 111.665 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 168' ' ' VAL . 13.7 t -143.49 138.5 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.94 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.78 134.39 11.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.909 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -103.3 -178.29 3.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 110.382 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? 58.54 24.2 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.426 ' HA ' HD13 ' A' ' 95' ' ' ILE . 36.8 t -58.44 -17.12 18.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.463 HD13 ' HD2' ' A' ' 135' ' ' ARG . 38.8 mt -94.91 82.27 3.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.29 -20.0 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -87.3 -35.88 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.7 mtt180 -87.53 5.12 40.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.8 ttm105 -65.69 108.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 23.9 tp60 -87.43 -25.96 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.2 t -104.21 100.15 20.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.031 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.5 Cg_exo -53.81 132.3 48.77 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.087 1.858 . . . . 0.0 111.394 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -50.43 -44.7 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.069 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 140' ' ' VAL . 18.6 mm-40 -58.8 -49.58 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.129 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.72 -31.49 70.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.854 0.359 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.11 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 91.7 mtt180 -72.17 -33.58 67.81 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 -46.54 80.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.75 64.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.767 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.58 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.699 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.46 -31.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.53 -48.67 65.91 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.777 0.323 . . . . 0.0 110.983 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.481 ' HB2' HG22 ' A' ' 152' ' ' VAL . 9.5 m0 -69.25 -14.27 62.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 7.2 51.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 150' ' ' TRP . 2.9 m -107.15 168.47 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.345 0.593 . . . . 0.0 112.419 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.32 135.09 53.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.484 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.564 ' HD1' HG22 ' A' ' 125' ' ' VAL . 20.1 t80 -100.92 143.78 30.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.535 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.62 152.78 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.47 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.4 136.61 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.675 HG22 ' HB2' ' A' ' 164' ' ' ASN . 81.9 p -147.83 153.74 39.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.997 0.427 . . . . 0.0 111.701 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.4 t -130.7 111.7 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.31 -14.94 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -83.12 -29.3 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 73.0 p -95.82 -18.42 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER 47.35 32.12 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.27 4.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' A' ' 157' ' ' THR . 69.3 m-20 -112.25 10.77 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.548 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.6 t -59.19 -50.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.3 -14.66 62.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.969 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 6.0 tmmm? -74.29 -30.83 62.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.821 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 126' ' ' VAL . 3.3 m -74.49 -27.34 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.629 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.8 -44.48 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -72.03 -29.34 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.316 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 124' ' ' LEU . 12.9 t70 -67.4 -43.37 81.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 110.8 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 124' ' ' LEU . 64.5 tp -72.65 -32.55 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 46.1 ttm -55.06 -44.47 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 91.5 mtt180 -58.06 -42.17 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.96 -45.76 92.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 68.9 mt -59.17 -32.27 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.252 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.465 ' HE ' ' HA ' ' A' ' 174' ' ' ARG . 53.4 mtm180 -74.69 -54.34 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.843 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 182' ' ' SER . 96.6 m -87.24 -59.19 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -61.0 -53.69 54.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtm? -61.89 -55.62 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.4 -13.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.64 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 178' ' ' THR . 46.7 t . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.24 163.88 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -139.77 109.0 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.804 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.52 148.8 35.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 91.4 mttt -124.2 124.03 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.86 131.26 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.8 mm -99.83 111.75 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.532 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.04 102.44 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.4 p -115.1 159.82 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 168.17 85.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.876 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 61.01 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.333 . . . . 0.0 111.414 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.27 -31.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.505 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.98 55.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 94' ' ' SER . 83.9 t -111.78 -65.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.06 41.02 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -50.61 -41.38 54.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.917 0.389 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 87.0 p -66.55 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.86 -52.26 66.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.929 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -65.39 -25.18 67.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 90.1 m -67.16 -46.33 74.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.096 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.42 -42.92 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.0 mm100 -57.41 -37.06 72.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.419 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -72.24 -25.16 61.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.9 tpp -81.84 -49.57 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.06 -9.18 14.39 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.2 m-20 57.25 32.29 21.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -146.7 135.91 22.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -91.7 108.18 19.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.5 141.54 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.17 106.35 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -147.36 174.72 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -157.44 106.6 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -122.06 103.9 38.98 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.88 124.7 13.51 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.219 1.946 . . . . 0.0 112.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.2 m -89.85 123.57 33.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -114.97 -41.07 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -14.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.05 127.09 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.527 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.0 p -113.09 174.63 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 48.9 m-85 -108.38 145.77 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -142.03 133.36 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -154.72 144.97 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 54.4 mttp -94.44 124.54 38.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.87 142.26 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -85.99 140.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' A' ' 174' ' ' ARG . 55.6 tp -147.99 118.69 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 58.28 31.55 20.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.744 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 34.94 34.24 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.715 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.61 114.99 4.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.761 0.315 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.1 tt0 -77.63 117.43 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.8 145.1 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -88.76 125.91 35.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -108.92 135.21 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.8 t70 -117.33 113.61 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.1 mt -102.67 139.69 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.9 OUTLIER -136.68 108.12 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.0 136.26 33.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.1 p -106.38 160.5 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.71 -163.59 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.064 179.482 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.966 0.412 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -50.9 -37.62 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.368 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.15 -36.19 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.185 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -57.58 -42.97 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.358 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -66.75 -43.17 84.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.617 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 114' ' ' VAL . 59.2 m-85 -61.31 -22.08 64.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -84.12 -19.05 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.9 t -81.42 3.31 24.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.449 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -153.72 157.26 27.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -97.6 -38.93 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.33 162.05 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -138.3 125.16 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.732 0.301 . . . . 0.0 110.735 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -111.87 102.85 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.716 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD21 ' HB ' ' A' ' 104' ' ' THR . 15.3 tp -83.77 133.27 34.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.015 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' HB ' ' A' ' 126' ' ' VAL . 66.3 t -142.31 121.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 23.3 p90 -119.12 150.53 39.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.822 0.344 . . . . 0.0 110.44 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HG13 ' A' ' 25' ' ' VAL . 15.1 t -89.99 141.41 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 21.7 pt -77.64 -27.41 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 p -73.9 -20.69 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.528 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 45.9 mt-10 -123.3 104.57 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -63.38 -16.45 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.234 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 11.8 pt-20 -69.99 -26.69 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.039 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -71.68 -53.5 13.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.161 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.64 -39.76 37.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.608 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.5 p -73.18 -53.97 9.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.38 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.51 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 93' ' ' PHE . 13.7 p -61.17 -31.86 71.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.0 -42.6 57.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.79 -38.8 89.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.516 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.57 -23.92 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.966 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' A' ' 150' ' ' TRP . 43.5 mtp180 -48.27 -50.85 28.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.88 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.28 -34.05 76.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.34 -38.19 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.85 -25.4 65.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.955 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -49.81 -51.17 41.67 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.608 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -66.46 -52.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.524 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -86.37 51.64 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -41.98 40.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -53.71 -45.65 70.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.947 0.403 . . . . 0.0 110.148 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 121' ' ' ILE . 31.7 tt0 57.1 104.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.848 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -132.59 -52.56 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.708 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -146.67 78.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.027 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 118' ' ' GLU . 13.8 mm -79.16 112.43 27.98 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.75 127.51 9.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.701 2.267 . . . . 0.0 111.454 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 tp -148.48 150.58 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 111.608 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.2 tp -159.31 123.9 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.863 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.669 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.1 p -97.97 143.34 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.986 0.422 . . . . 0.0 111.895 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' A' ' 92' ' ' VAL . 12.0 t -141.2 155.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.814 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.31 134.28 11.47 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.252 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.13 -174.86 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.412 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.3 mmtp 55.83 22.81 5.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 t -58.84 -17.55 24.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.309 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -76.31 11.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -132.38 76.31 1.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.51 -20.27 61.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -83.31 -24.71 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.5 mtt180 -103.71 0.25 30.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -62.44 107.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.51 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -89.02 -27.51 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -102.73 103.58 33.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.09 130.08 37.66 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.135 1.89 . . . . 0.0 111.357 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -52.3 -45.75 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.356 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.7 mt-10 -60.44 -49.33 77.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.017 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.97 -27.74 69.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.65 56.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.768 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.3 mtt180 -68.8 -40.4 79.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 t -64.13 -51.21 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.308 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -39.8 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.804 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.669 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.94 -37.82 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.248 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.67 -43.25 72.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CE2' ' HD2' ' A' ' 108' ' ' ARG . 13.1 m0 -70.44 -0.34 8.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.198 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.85 30.03 53.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 160.62 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 111.349 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -102.17 129.64 48.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.92 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.59 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.0 t80 -95.14 145.48 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.043 0.449 . . . . 0.0 111.411 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.58 151.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.82 146.55 24.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.5 p -152.64 149.15 28.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.943 0.402 . . . . 0.0 111.545 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.4 p -115.93 110.52 19.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.557 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.609 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -87.61 -47.31 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.4 p -96.66 -2.31 44.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 33.84 45.21 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.618 0.574 . . . . 0.0 111.763 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.31 -55.65 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.297 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -112.06 14.54 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.597 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.5 p -66.82 -32.8 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.46 -26.11 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -61.64 -34.7 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.877 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -73.4 -31.97 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.685 0.278 . . . . 0.0 111.545 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -74.45 -43.25 57.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.731 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -71.72 -33.46 68.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.063 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.45 -53.04 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.23 -32.39 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.8 ttm -54.89 -47.33 74.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 57' ' ' LEU . 79.8 mtp180 -62.97 -34.46 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.32 -46.06 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 69.9 mt -59.11 -32.11 47.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.82 -51.67 13.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.677 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 182' ' ' SER . 92.9 m -87.25 -58.97 2.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -62.1 -53.8 50.3 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtt? -61.13 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.642 0.258 . . . . 0.0 111.454 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.2 mmt -72.43 -12.66 61.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.412 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.23 130.67 47.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -111.79 111.47 22.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -104.9 141.93 35.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.51 105.61 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.71 131.97 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -94.18 135.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.498 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 5.1 tpt -87.82 89.28 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.7 p -107.19 160.6 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.05 82.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.78 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 63.11 -83.26 0.02 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.974 0.416 . . . . 0.0 111.022 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.71 -85.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.119 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 67.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.107 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 93' ' ' PHE . 97.9 t -109.72 -57.62 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 154.38 31.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.173 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 81.2 mttt -46.97 -43.12 18.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.432 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.475 ' O ' ' HB ' ' A' ' 31' ' ' THR . 95.0 p -69.78 -30.27 67.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.477 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -52.74 63.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.312 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.634 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -64.08 -24.79 67.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 28' ' ' SER . 94.8 m -69.86 -46.72 64.93 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.683 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.05 -40.78 74.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.398 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.14 -39.84 79.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -72.36 -24.93 61.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.498 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -79.17 -49.36 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -109.8 -3.04 16.95 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 55.52 32.01 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.787 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.98 148.06 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -94.56 110.63 22.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -134.13 143.74 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.82 104.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -143.83 172.19 13.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -162.04 102.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -121.55 99.39 45.23 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.4 156.58 45.56 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.409 2.073 . . . . 0.0 112.064 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 m -70.59 96.08 1.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 9.9 mmpt? -98.06 36.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 65.93 7.03 4.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.78 125.86 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m -100.6 160.46 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -98.95 147.2 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.559 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -143.73 138.64 28.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.936 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -152.33 137.17 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -89.08 119.7 29.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.381 . . . . 0.0 111.125 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.2 144.11 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.4 p -79.67 144.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.455 HD21 ' HG2' ' A' ' 174' ' ' ARG . 52.0 tp -140.79 109.27 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.757 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 56.22 31.13 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.24 -30.49 9.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.7 119.05 36.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.5 tt0 -85.38 131.13 34.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.224 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.49 148.93 26.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -85.43 135.35 33.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -110.28 140.76 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 14.5 t70 -122.04 114.16 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 HG23 ' A' ' 31' ' ' THR . 68.0 mt -108.55 129.8 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.01 105.37 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.301 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -72.27 146.47 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.211 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.9 p -123.76 112.09 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.73 175.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.894 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 43.0 mt . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.943 0.401 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -57.63 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.303 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 11.6 m120 -52.29 -34.49 46.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.541 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.25 -42.47 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.559 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -66.28 -14.24 61.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.628 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.37 -29.03 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 111.191 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.1 p -85.36 10.33 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.6 146.23 18.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.626 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -93.15 -48.41 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.611 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.4 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.296 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 34.7 m-85 -132.26 131.84 42.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.14 107.33 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.703 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.72 129.11 34.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 126' ' ' VAL . 21.9 t -135.88 119.29 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.737 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.701 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -132.54 155.8 47.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.946 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -97.52 151.4 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.475 HD13 ' HE ' ' A' ' 136' ' ' ARG . 21.8 pt -78.38 -37.5 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.0 p -60.49 -28.2 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.547 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.68 99.48 8.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -63.02 -17.05 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.93 -26.65 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.0 p -69.79 -51.6 32.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.75 -36.4 67.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.276 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.1 p -72.9 -54.03 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.863 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.82 -35.28 76.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.703 ' HB ' HD21 ' A' ' 91' ' ' LEU . 3.6 p -59.58 -39.53 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.13 -27.7 63.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.826 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -72.78 -32.75 65.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.055 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.69 -25.1 53.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -51.57 -47.56 63.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.036 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.05 -28.22 67.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.1 -43.23 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.304 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.27 -26.28 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -51.51 -50.63 59.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 111.58 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 115' ' ' LYS . 12.2 m -73.37 -13.74 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.401 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.6 mmtt -120.17 40.87 3.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.98 3.34 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.506 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.05 -27.71 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.22 -178.83 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -128.48 -58.6 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -68.63 107.09 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.36 103.65 46.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.36 128.38 25.98 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.116 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 54.2 tp -149.16 156.53 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.0 tp -162.09 133.24 5.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.269 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -108.23 143.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 111.837 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 92' ' ' VAL . 7.2 p -147.3 147.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.84 128.51 9.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.106 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -99.09 -178.46 3.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.797 0.332 . . . . 0.0 110.315 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm 54.63 20.1 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -62.66 -11.68 18.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.19 -5.91 11.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.445 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.5 mt -117.66 78.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.72 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.3 -24.01 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.513 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -83.43 -6.49 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.1 mtt180 -124.98 12.89 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.427 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.6 ttm180 -75.67 108.31 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.483 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -80.97 -34.69 32.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.542 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -97.95 109.99 53.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.348 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.69 135.69 70.92 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.159 1.906 . . . . 0.0 111.542 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -55.04 -46.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.625 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 140' ' ' VAL . 7.5 pt-20 -62.84 -30.02 71.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.92 -31.36 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.39 51.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.478 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 81.7 mtt180 -66.43 -40.63 89.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.323 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -66.46 -52.42 46.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.548 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -46.46 88.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.633 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -67.91 -34.21 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.47 -31.98 69.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.56 -29.36 16.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.46 31.83 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.073 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.13 -177.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 111.498 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -121.38 146.82 46.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.811 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 125' ' ' VAL . 45.2 t80 -112.91 135.99 53.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 0.0 111.777 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.26 155.17 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.218 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -88.85 150.56 22.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 164' ' ' ASN . 16.8 p -151.75 169.19 22.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.21 0.529 . . . . 0.0 111.818 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.9 t -148.3 116.42 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.406 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.68 -5.46 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.546 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -94.69 -37.86 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 68.7 p -97.31 -11.73 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 35.25 38.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.56 5.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.168 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 157' ' ' THR . 25.8 t-20 -104.28 1.12 30.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.633 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.475 HG23 HD12 ' A' ' 30' ' ' LEU . 12.6 p -56.59 -44.61 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.807 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.449 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.99 -20.57 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 13.6 tmtt? -60.48 -41.45 94.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.619 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 165' ' ' VAL . 27.2 m -72.9 -28.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.696 0.284 . . . . 0.0 111.437 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.9 -46.29 62.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.455 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -71.61 -40.19 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.601 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.42 -53.73 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 124' ' ' LEU . 54.1 tp -62.71 -33.79 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.9 ttm -55.89 -45.23 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.455 ' HG2' HD21 ' A' ' 57' ' ' LEU . 75.7 mtm180 -69.09 -34.36 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.729 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.87 -29.2 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.506 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 94.8 mt -72.8 -54.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.614 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.6 ptm180 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.829 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.4 m -88.21 -59.6 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -71.31 -54.33 11.19 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.4 tptt -60.38 -56.16 24.86 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.7 mmt -57.23 -17.4 11.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.241 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.967 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.733 0.302 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 160.24 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.36 112.52 15.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -107.25 117.67 34.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.45 130.66 44.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.351 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.61 108.13 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.083 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.1 tpt -64.34 94.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.6 p -115.76 159.0 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.43 85.98 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.609 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 104' ' ' THR . 28.6 t 61.79 -84.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.51 -62.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.92 55.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -101.79 -65.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.65 33.84 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 5.6 ptpp? -50.71 -40.45 54.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.181 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.2 p -62.1 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.85 -51.72 63.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.596 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.67 -25.49 67.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.544 HG23 HG21 ' A' ' 66' ' ' ILE . 52.7 m -69.84 -46.01 66.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.488 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.04 -33.37 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.824 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.582 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.4 mm100 -69.16 -33.54 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.572 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -73.06 -46.13 53.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttm -82.45 -50.05 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.62 -23.73 17.5 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 58.04 42.12 23.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 109.94 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.15 127.54 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.881 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -72.14 105.84 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.743 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 42' ' ' ASP . 48.7 t -131.01 144.24 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.191 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.84 -31.6 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.504 ' H ' HG12 ' A' ' 40' ' ' VAL . 13.5 m-20 -60.24 161.01 7.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -158.53 -178.07 7.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.43 126.39 11.65 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.72 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -57.5 141.18 95.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.461 2.108 . . . . 0.0 112.598 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -126.58 131.8 51.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -126.42 -34.08 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.37 -14.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.14 127.53 33.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' HD23 ' A' ' 67' ' ' LEU . 79.1 p -118.09 174.25 6.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -111.41 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.744 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -151.17 139.26 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -155.83 154.14 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -100.21 122.64 43.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.08 137.8 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -70.28 138.8 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 HH11 ' A' ' 177' ' ' ARG . 0.1 OUTLIER -131.92 103.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 54.01 31.28 13.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.05 -39.1 3.01 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.85 115.97 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 111.209 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.2 tt0 -75.58 119.35 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.839 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.7 146.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 148.24 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -127.55 133.32 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.04 115.6 29.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.775 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.544 HG21 HG23 ' A' ' 31' ' ' THR . 23.3 mm -95.87 124.92 48.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 50' ' ' SER . 1.2 tm? -121.83 103.73 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.645 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.63 136.62 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 89.9 m -146.37 149.0 32.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -178.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.354 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.816 179.436 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.045 0.45 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.36 -44.42 96.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.918 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.62 -30.96 71.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.8 -34.37 27.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -65.83 -43.54 88.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.572 ' HB2' HG11 ' A' ' 114' ' ' VAL . 40.3 m-85 -68.25 -23.83 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.418 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -87.68 13.77 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.333 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.34 148.0 18.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.668 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.34 -10.83 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.675 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -142.88 166.41 26.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -135.61 136.42 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.684 0.278 . . . . 0.0 111.025 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 168' ' ' VAL . 1.7 tt -131.55 103.54 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.8 tp -82.97 129.22 35.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 126' ' ' VAL . 19.4 t -134.14 121.72 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.598 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 104' ' ' THR . 5.3 p90 -131.3 153.87 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.942 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.5 t -94.58 145.63 24.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 27.7 pt -77.23 -34.51 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.964 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.6 p -62.17 -25.8 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -117.03 102.88 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -62.99 -16.2 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.47 -26.55 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m -66.03 -53.76 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.145 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.36 -36.29 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.1 p -72.43 -53.34 12.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.775 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.1 p -60.16 -31.37 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.284 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 43.6 mt-10 -62.16 -44.55 96.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.47 -25.2 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -50.75 -53.24 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.07 -36.81 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.127 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.6 mm-40 -58.5 -29.17 66.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.78 -36.5 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.633 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -68.05 -26.58 65.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.3 mmp_? -67.84 -50.86 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.314 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.2 m -61.62 -22.35 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 110.657 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -123.2 60.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.008 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.73 -36.78 26.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.665 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -52.96 -46.53 68.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.91 0.386 . . . . 0.0 110.261 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 119' ' ' ASP . 6.8 tt0 55.78 -131.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.406 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 118' ' ' GLU . 33.9 m-20 77.94 -45.84 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.886 0.474 . . . . 0.0 110.064 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -148.44 81.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.528 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 118' ' ' GLU . 21.3 mm -86.85 109.53 25.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 63.7 Cg_endo -72.1 103.11 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.248 1.965 . . . . 0.0 111.921 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.9 tp -133.4 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 tp -158.37 122.68 4.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.143 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -100.09 143.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.587 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 92' ' ' VAL . 10.0 p -145.66 154.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.59 139.81 15.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.926 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.35 -175.17 2.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.5 mmtt 56.95 19.96 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.448 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.6 t -57.56 -19.93 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.067 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.17 -8.36 12.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 135' ' ' ARG . 39.8 mt -119.0 87.62 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.39 -40.81 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.234 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.4 -26.27 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.537 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -96.78 10.27 39.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.496 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 41.7 ttm180 -79.56 108.99 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 110.28 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 14.3 mm100 -88.87 -26.86 21.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.492 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.1 102.54 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.9 Cg_exo -54.41 134.44 61.37 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.097 1.865 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.96 -46.66 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.554 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.8 pt-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.359 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.2 tt0 -68.98 -41.25 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.721 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.74 70.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.4 mtt180 -70.2 -40.55 74.51 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.313 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -60.98 -48.18 83.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.631 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -47.99 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.283 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.017 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.41 -32.37 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -54.17 -46.88 72.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -66.96 -19.62 65.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.58 29.52 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.44 160.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 111.74 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -104.62 131.83 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.561 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -97.48 141.49 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.085 0.469 . . . . 0.0 111.776 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.71 151.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.053 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.25 143.81 26.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 164' ' ' ASN . 45.1 p -150.14 159.3 44.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.136 0.493 . . . . 0.0 111.791 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 61.6 m -122.78 111.48 16.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.337 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.7 -2.33 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.6 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -96.98 -48.35 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.768 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 63.6 p -83.47 -5.28 59.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.464 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.31 39.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.86 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.673 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.593 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.8 m-20 -112.11 17.18 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.343 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -62.91 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.4 p30 -74.0 -16.24 61.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 111.105 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -61.67 -31.45 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.793 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' VAL . 26.0 m -80.63 -26.73 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.663 0.268 . . . . 0.0 111.483 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -71.56 -44.44 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.812 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -71.84 -47.01 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.94 -45.79 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.91 -37.04 78.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 3.2 ttp -60.21 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.256 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.19 -36.95 78.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.55 -46.72 86.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 59.7 mt -58.04 -32.21 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 110.765 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.507 HH11 HD12 ' A' ' 57' ' ' LEU . 79.6 mtp180 -73.97 -54.32 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.443 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 55.3 m -88.65 -59.72 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -55.9 -54.33 45.96 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.5 tttm -64.38 -57.71 8.55 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 57.7 mtt -58.13 -18.27 24.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.687 0.279 . . . . 0.0 111.253 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.681 0.277 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 97.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 111.103 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 1.3 tt -80.6 102.96 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.13 121.78 43.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 57.5 mttp -104.43 117.74 34.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.3 134.29 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.92 126.99 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.191 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 4.2 mmt -75.29 98.2 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -107.14 153.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.437 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 177.77 -159.91 26.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.047 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -59.84 -53.48 57.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.028 0.442 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.21 29.75 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.294 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.52 68.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.745 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.63 -22.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.309 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 113.96 53.52 0.44 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.546 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 50.5 mttm -59.95 -50.59 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 31' ' ' THR . 61.5 p -51.76 -29.42 18.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.285 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.63 -52.81 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.984 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -61.26 -24.56 66.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.8 m -73.04 -41.11 64.53 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.18 72.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.292 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.8 mm100 -64.35 -37.91 89.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.353 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.55 -26.59 61.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.753 0.311 . . . . 0.0 111.197 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.6 -49.51 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -121.31 -11.81 8.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 61.78 36.94 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 0.0 110.57 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.46 140.47 51.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -95.8 105.39 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 42' ' ' ASP . 17.6 t -127.16 143.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.08 -27.15 62.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.665 ' H ' HG12 ' A' ' 40' ' ' VAL . 24.3 t70 -62.83 148.33 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -134.1 -172.78 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -151.6 107.66 2.91 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.66 142.4 50.3 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.461 2.107 . . . . 0.0 112.467 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -114.11 141.97 46.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -135.59 -32.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.66 -13.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.79 136.31 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -126.32 168.4 14.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 21.7 m-85 -102.0 148.79 24.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.224 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.29 141.16 28.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.29 172.86 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.341 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -127.55 127.0 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.067 0.46 . . . . 0.0 111.742 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.54 153.09 32.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.581 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.7 131.14 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.348 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -120.21 95.14 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.743 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 54.15 30.83 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 39.22 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.645 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -153.0 113.83 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -82.91 129.74 35.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.78 177.9 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.592 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt-30 -119.71 119.09 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.806 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.5 tt -107.88 133.03 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -119.87 119.7 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.618 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.85 128.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 tt -132.41 109.48 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.524 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 6.4 p-10 -80.75 120.6 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.9 p -83.58 -10.29 58.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 -169.49 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.097 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.944 0.402 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -53.52 -39.52 64.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -58.78 -34.84 71.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -57.13 -45.3 83.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.09 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.54 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' HB2' HG11 ' A' ' 114' ' ' VAL . 31.2 m-85 -66.49 -21.83 66.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.513 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -83.31 -3.27 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -100.61 10.54 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -140.52 176.18 21.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.594 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 20.9 mm-40 -109.46 -54.35 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.86 165.14 33.07 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.669 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -135.53 139.82 44.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.721 0.295 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.757 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -131.04 107.73 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.762 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 16.3 tp -82.51 129.11 34.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.484 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 126' ' ' VAL . 21.5 t -129.97 134.43 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.62 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -147.59 154.64 40.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.621 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -94.09 144.47 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.768 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 96' ' ' THR . 3.6 pt -73.52 -42.86 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.5 t -65.9 -11.95 50.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 96' ' ' THR . 10.0 mm-40 -116.96 95.94 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.12 -18.31 63.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 104' ' ' THR . 26.8 m -68.95 -54.07 17.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.856 -178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -57.71 -34.66 69.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.614 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -72.64 -53.84 10.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.4 77.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.4 p -58.49 -39.6 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.44 -34.28 66.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.457 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.76 -44.39 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -60.76 -26.4 67.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.268 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.7 -45.12 70.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.52 -26.79 63.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 65.9 mm-40 -74.21 -26.44 60.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.03 0.443 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.33 -38.41 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -67.63 -26.44 66.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.773 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 19.0 mmm180 -55.43 -50.53 69.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.2 m -71.73 -11.54 15.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.958 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -131.79 69.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.89 -23.05 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.174 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.39 -37.89 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.23 132.06 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.733 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.09 -43.99 14.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.755 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.531 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 27.7 mmmt -95.25 120.11 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.361 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.2 mm -114.84 104.95 53.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HE2' ' A' ' 180' ' ' LYS . 24.2 Cg_exo -63.7 130.51 28.17 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.439 2.093 . . . . 0.0 112.027 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.16 152.67 33.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.451 ' HB2' HD13 ' A' ' 172' ' ' LEU . 14.8 tp -158.22 120.96 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.305 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.606 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -92.8 143.53 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.405 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.453 HG12 HG22 ' A' ' 92' ' ' VAL . 2.5 p -142.02 154.14 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.99 115.54 2.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.894 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -90.33 -177.32 5.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 3.2 tppp? 57.21 17.36 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.5 t -63.36 -10.47 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.113 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.8 -15.08 57.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 135' ' ' ARG . 79.7 mt -104.14 84.08 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.5 -11.18 60.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.85 -28.07 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.7 mtt180 -99.0 -2.35 37.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.291 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.4 ttm180 -67.28 107.87 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 0.0 110.419 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -96.77 -17.16 20.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.0 99.88 41.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.17 142.59 55.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.346 2.031 . . . . 0.0 111.915 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -57.07 -45.88 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.3 mt-10 -56.3 -49.71 73.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.231 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.13 -28.34 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.94 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.5 mtt180 -77.39 -36.64 53.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.2 t -60.13 -51.06 71.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.358 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.25 74.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.515 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.0 -29.23 68.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.2 -32.46 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.96 -41.69 62.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.53 -26.72 61.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.04 30.14 3.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.86 170.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 111.435 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.34 135.11 54.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.726 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.606 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.7 t80 -97.96 146.22 25.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 111.717 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.89 154.3 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -89.4 138.41 31.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.8 p -148.01 156.87 43.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.061 0.457 . . . . 0.0 111.821 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 161' ' ' THR . 68.8 m -136.75 109.04 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.497 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.58 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.755 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.48 -54.9 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 158' ' ' SER . 9.6 t -87.37 -1.67 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.45 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.8 ppt_? 34.81 40.03 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.977 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.1 -55.43 5.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.112 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.27 11.29 21.71 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.7 p -60.44 -42.51 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.63 -15.0 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -37.37 83.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.262 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 90' ' ' LEU . 10.4 p -76.49 -27.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -72.52 -46.69 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.29 -46.78 60.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.201 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -50.49 72.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 124' ' ' LEU . 59.5 tp -60.46 -46.77 88.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 25.1 ttp -54.46 -42.02 70.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.54 -34.13 73.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.09 -26.32 67.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 82.7 mt -72.57 -54.16 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 111.378 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 17.3 ptm180 -60.8 -29.7 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.616 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -87.23 -58.31 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.531 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 52.0 tttp -69.6 -53.33 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.1 ttmm -62.87 -55.98 21.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -62.16 -13.86 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.043 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.5 172.41 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -139.06 106.95 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -104.33 152.74 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 93.8 mttt -129.9 104.29 7.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.68 137.75 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -107.63 134.51 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.311 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.451 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -85.34 96.08 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.122 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -104.76 157.18 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.958 0.409 . . . . 0.0 111.302 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.79 -163.81 28.58 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.194 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.474 ' HB3' HG23 ' A' ' 104' ' ' THR . 71.5 p -66.2 -49.32 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.67 -13.46 0.78 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.112 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.4 68.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.5 t -121.33 -57.56 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.599 0.238 . . . . 0.0 111.168 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.19 39.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 19' ' ' MET . 33.8 mtmm -53.78 -37.25 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.036 0.446 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' A' ' 31' ' ' THR . 79.1 p -73.33 -29.88 62.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.779 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.2 -53.02 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.986 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 HG23 ' A' ' 165' ' ' VAL . 2.7 mm? -60.73 -25.09 66.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.0 m -74.25 -39.92 62.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.636 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.25 -31.16 67.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.043 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.587 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.3 mm100 -71.47 -38.37 71.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.197 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -73.22 -44.34 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.849 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.6 mmm -82.3 -49.79 9.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -94.6 -19.57 20.35 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.7 m-20 57.99 42.79 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -154.59 150.04 27.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.853 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.7 110.47 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.06 151.56 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.22 -77.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.039 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -176.07 104.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -171.19 100.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -155.02 80.79 4.31 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.28 119.61 6.4 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.653 2.235 . . . . 0.0 111.824 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -81.16 100.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.142 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -90.9 30.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.624 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.89 9.76 5.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.98 136.92 38.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.4 p -104.12 162.41 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -99.24 150.34 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -142.85 137.35 29.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.937 0.399 . . . . 0.0 110.989 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -158.23 155.53 29.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -103.29 122.28 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.361 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 148.03 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.2 p -89.3 130.03 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 111.246 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 55.9 tp -130.12 109.23 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.427 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 59.78 31.31 20.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.85 29.56 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.659 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -96.25 113.88 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.984 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.0 tt0 -76.35 126.15 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.36 170.59 19.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.79 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -108.05 150.25 27.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.39 134.89 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 21.9 t70 -116.72 113.66 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.83 123.66 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.0 tm? -126.43 116.62 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.289 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.82 135.77 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.1 p -102.78 -28.01 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.48 -171.11 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.14 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--O 1.231 0.106 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -55.83 -33.73 64.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.08 -35.44 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.631 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -56.02 -34.5 65.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -65.66 -46.86 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -65.8 -17.5 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.382 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -82.03 -18.2 44.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.101 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 t -101.16 5.03 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.67 148.44 16.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -94.23 -45.64 7.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.576 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -93.87 160.06 24.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.124 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.54 133.59 32.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.33 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 124' ' ' LEU . 19.5 tp -125.09 106.68 10.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.6 tp -82.16 140.94 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.31 137.28 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 104' ' ' THR . 16.4 p90 -156.74 160.09 38.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.708 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 67.3 m -93.81 126.89 39.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 pt -60.99 -29.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.438 HG22 ' HG3' ' A' ' 129' ' ' LYS . 6.0 t -81.45 -20.89 39.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -101.84 96.95 7.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.25 -17.69 62.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -74.15 -27.6 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 110.547 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -76.63 -53.61 7.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.599 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.87 -41.74 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.585 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -72.92 -53.98 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.166 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -58.0 -33.76 69.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 93' ' ' PHE . 11.6 p -65.8 -31.47 72.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.04 69.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.85 -42.96 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.01 -25.8 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.1 tmt_? -49.77 -45.89 50.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.561 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.42 -39.64 70.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 13.5 mm-40 -59.07 -30.53 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.12 -43.24 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -67.27 -26.29 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.825 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 25.1 mmt180 -53.55 -50.88 64.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.81 0.338 . . . . 0.0 111.817 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.602 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.35 -11.34 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.67 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.9 mmtt -123.23 58.99 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.94 -12.79 59.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.433 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.37 6.45 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 22.0 mm-40 -115.22 162.34 17.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.87 -57.44 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -74.08 106.65 5.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.53 104.22 54.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 18.3 Cg_exo -66.38 109.2 1.53 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.455 2.104 . . . . 0.0 112.098 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 124' ' ' LEU . 54.8 tp -132.84 157.62 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 123' ' ' LEU . 28.6 tp -158.17 115.59 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.149 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -89.09 136.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 111.168 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.479 HG11 HG11 ' A' ' 168' ' ' VAL . 21.2 t -140.55 153.79 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.79 132.66 6.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.769 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -162.74 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 132' ' ' LEU . 36.0 mmtp 56.58 18.44 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.364 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.4 m -59.82 -17.06 33.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.29 12.97 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.656 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.0 mt -125.48 82.2 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.32 -21.42 60.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.468 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.58 -34.74 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.336 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.1 mtt180 -84.18 -1.78 55.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.087 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttm105 -61.29 107.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.99 -35.01 24.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.2 t -108.69 104.24 53.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.778 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.18 124.67 13.31 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 121.99 1.793 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.5 p -51.37 -44.09 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.305 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.0 pt-20 -54.8 -36.75 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.6 tt0 -75.13 -39.6 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.396 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.7 -28.6 69.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.818 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.4 mtt180 -67.96 -45.63 73.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.276 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -60.84 -46.37 90.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.493 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -65.65 -48.17 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.662 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.568 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -52.6 -43.83 65.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.588 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.89 -31.8 63.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.63 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.28 -48.07 62.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 35.8 m0 -63.92 -21.52 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.51 14.73 24.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.076 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.09 -179.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 0.0 111.48 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.02 131.14 55.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.062 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.5 t80 -96.1 136.71 36.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 111.418 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 90.1 t -132.85 149.79 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.91 137.57 32.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.369 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.3 p -139.17 157.39 46.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.45 . . . . 0.0 111.382 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.1 m -127.0 109.5 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.9 -6.6 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -93.56 -51.05 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.411 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 34.5 p -84.73 -7.13 59.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.411 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.411 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.4 ppt_? 37.76 35.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.887 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -75.93 -55.97 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -106.71 12.25 29.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.64 HG23 HD12 ' A' ' 30' ' ' LEU . 10.0 p -65.37 -43.04 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.313 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.0 m-20 -73.22 -25.42 60.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 111.263 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.13 -32.29 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.068 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -74.7 -26.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -74.93 -45.67 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.778 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -71.87 -36.2 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.21 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.076 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.8 -32.4 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.3 ttm -55.72 -45.52 77.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 57' ' ' LEU . 86.2 mtm180 -60.93 -34.73 75.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.81 -51.71 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 74.8 mt -57.59 -31.39 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 62.6 mtp180 -72.5 -59.89 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.644 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.0 m -87.19 -59.13 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -56.95 -54.28 48.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.2 tptt -62.98 -50.8 69.35 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -70.38 -12.33 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.718 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 37.6 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.667 0.27 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.85 131.32 34.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -105.67 112.08 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -104.01 154.02 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.66 145.16 47.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.57 121.54 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.58 105.72 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -65.14 98.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -105.49 160.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 172.79 -157.92 27.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.836 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 29.3 t -59.6 -56.07 26.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.0 0.428 . . . . 0.0 110.973 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.19 -7.69 1.19 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.42 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.53 64.71 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.078 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 93' ' ' PHE . 38.3 t -115.8 -50.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 111.463 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.01 42.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.213 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.3 OUTLIER -53.02 -49.68 65.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.393 . . . . 0.0 111.323 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.9 p -54.57 -30.13 53.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.586 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.96 -51.85 67.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.24 -25.23 65.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 31.6 m -74.04 -42.21 60.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.152 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.65 -32.13 70.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.742 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.551 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.9 mm100 -69.13 -37.64 78.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 111.17 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -73.63 -49.12 27.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mtp -82.1 -50.02 9.53 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -104.51 -5.75 21.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 5.5 p-10 40.36 64.36 0.94 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.196 0.522 . . . . 0.0 110.977 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -159.79 128.86 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.754 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 70.1 t80 -80.08 109.07 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -107.48 150.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.05 -78.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.538 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.81 -153.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.324 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.2 t80 67.37 92.22 0.08 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -144.84 68.47 14.32 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.39 153.38 77.18 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.617 2.212 . . . . 0.0 112.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 48' ' ' ALA . 33.4 m -126.75 103.15 7.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -91.07 28.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.421 ' H ' HG22 ' A' ' 46' ' ' THR . . . 62.54 12.84 5.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.427 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.25 128.34 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.762 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -87.22 170.0 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -111.91 166.45 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -144.72 146.85 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -166.48 138.24 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.43 114.9 27.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.04 142.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.9 p -83.26 142.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.3 109.45 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 t70 59.52 31.01 20.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.62 -18.98 56.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.753 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -104.35 116.13 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -87.05 120.84 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.8 149.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.47 131.1 35.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.67 135.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -126.06 113.62 17.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 67' ' ' LEU . 65.4 mt -110.25 154.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.234 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -146.28 114.69 6.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.209 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.77 131.36 38.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.7 p -119.33 112.23 19.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.953 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -166.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.259 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.353 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.851 0.358 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.32 -35.64 72.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.22 -31.2 67.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -54.35 -44.68 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -57.67 -35.24 70.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.489 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.33 -24.13 37.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -81.66 -28.62 33.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.248 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -87.48 12.67 11.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.021 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.76 178.86 16.36 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -121.65 -50.95 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.41 154.69 19.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.35 133.37 38.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.985 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.8 mt -122.07 111.38 16.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.639 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.4 tp -82.94 118.92 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 t -124.13 136.17 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.798 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -150.31 159.14 44.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.433 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.461 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.7 m -100.31 146.63 26.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.185 0.516 . . . . 0.0 111.586 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.0 pt -76.21 -31.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.71 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.524 HG21 HD22 ' A' ' 132' ' ' LEU . 68.3 p -66.95 -28.97 68.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.79 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -111.43 97.34 6.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.67 -15.65 53.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.47 -26.71 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 79.8 p -70.57 -51.44 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.7 -36.16 61.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.656 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.2 p -72.67 -53.97 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.987 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.37 75.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.2 p -59.37 -31.76 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.81 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -67.92 -46.42 71.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.588 ' HA ' HE21 ' A' ' 110' ' ' GLN . 20.9 m-85 -62.07 -24.2 66.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -47.87 -53.57 15.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.21 -38.83 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.402 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' A' ' 107' ' ' PHE . 44.3 mt-30 -56.2 -36.72 68.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.171 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -43.01 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.93 -27.29 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.561 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -60.13 -50.61 73.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.83 -11.45 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.553 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.8 mmtt -127.35 34.53 4.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.8 59.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.62 -39.47 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -87.91 133.7 33.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.47 -34.5 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.347 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -89.18 110.08 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mm -119.64 106.58 41.82 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.2 Cg_endo -61.49 125.95 18.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.214 1.943 . . . . 0.0 112.009 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.0 tp -142.1 157.39 44.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 tp -161.77 132.69 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.112 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.589 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -108.84 143.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.987 0.423 . . . . 0.0 111.939 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.7 p -141.89 156.15 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.996 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.93 110.28 1.14 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.811 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 157' ' ' THR . 29.3 p-10 -86.0 -170.15 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 110.409 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 95' ' ' ILE . 25.9 mmmt 61.21 18.15 8.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -60.58 -19.94 59.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -10.61 41.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.046 0.45 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.7 mp -108.48 91.25 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.666 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.88 -54.94 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -7.55 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.858 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.593 ' HD3' HD23 ' A' ' 132' ' ' LEU . 65.0 mtp180 -118.58 22.61 11.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.689 0.281 . . . . 0.0 111.604 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 37.5 ttm180 -99.09 110.26 22.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.41 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -94.54 -23.99 17.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.435 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.47 100.48 14.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.87 140.72 81.31 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.076 1.85 . . . . 0.0 111.236 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.44 -43.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.375 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -53.83 -44.28 70.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.512 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.26 -29.2 47.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.342 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtm180 -77.53 -34.89 53.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.4 t -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -72.96 -45.31 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.839 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.78 -44.86 96.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.17 -32.28 55.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.344 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.67 -41.91 64.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.761 0.315 . . . . 0.0 110.655 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 18.9 m0 -71.95 -20.64 61.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.97 38.11 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.759 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.22 -179.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 111.355 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -125.8 131.76 52.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.849 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.589 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.7 t80 -97.47 141.31 30.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.426 . . . . 0.0 111.31 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 154.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.25 141.8 28.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.289 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 164' ' ' ASN . 40.4 p -150.92 164.74 35.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 0.0 111.854 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.8 t -138.91 112.09 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.294 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.99 0.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.465 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.17 -45.8 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.659 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 66.7 p -91.05 -6.0 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.027 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 34.82 42.85 0.08 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.77 -55.81 5.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.079 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.604 ' HB2' HG22 ' A' ' 157' ' ' THR . 66.9 m-20 -111.93 19.4 17.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.658 0.266 . . . . 0.0 111.475 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 33' ' ' GLN . 6.6 p -65.0 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.665 0.269 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -73.43 -14.68 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.82 -39.48 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.9 m -74.25 -27.57 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.63 -45.95 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.379 . . . . 0.0 110.705 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.01 -33.51 68.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.078 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.14 -52.08 65.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 122' ' ' PRO . 64.6 tp -62.68 -33.72 75.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.4 ttm -57.28 -46.24 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.646 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -64.02 -34.22 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 16.1 mm-40 -62.12 -51.64 67.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.625 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.1 mt -58.18 -32.01 43.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 181' ' ' MET . 79.3 mtp180 -70.18 -58.07 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.644 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.2 m -87.92 -59.25 2.29 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.6 tttt -58.1 -54.29 48.62 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 24.4 tptm -63.94 -47.72 79.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -68.19 -13.7 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.789 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.95 21.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.98 124.76 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -116.47 116.85 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.8 mttt -96.2 113.54 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 129.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 mm -108.94 118.41 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 89.0 mmm -70.94 87.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -95.63 163.34 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.26 -153.59 18.35 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.623 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.468 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 73.7 p -62.0 -45.5 93.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.13 -10.42 5.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.233 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.62 68.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.7 t -124.22 -71.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.14 57.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 27.9 mmtp -57.91 -47.99 81.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.142 0.496 . . . . 0.0 111.07 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' A' ' 31' ' ' THR . 12.3 p -53.74 -29.46 39.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.622 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.26 -52.78 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.008 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.778 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -65.38 -24.78 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.625 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 28' ' ' SER . 37.4 m -68.8 -41.43 78.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.373 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.25 -42.43 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.758 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.3 mm100 -65.95 -26.77 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.35 -51.42 17.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.7 ttm -82.2 -49.8 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.57 -20.52 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.6 m-20 53.48 31.99 13.26 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.609 ' HA ' HH11 ' A' ' 162' ' ' ARG . 10.3 tp10 -152.57 133.52 14.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.825 -178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' N ' HE22 ' A' ' 33' ' ' GLN . 61.3 t80 -86.65 110.25 19.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.87 145.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.31 109.31 9.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -162.99 147.79 11.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.918 0.389 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -121.66 125.89 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.498 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -121.55 104.32 40.03 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.58 140.86 83.68 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 112.095 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.3 m -76.84 107.9 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.11 43.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.96 16.91 8.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.541 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -101.11 126.27 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -109.43 155.54 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.93 155.9 16.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.146 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -146.24 133.81 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.675 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.51 146.02 22.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -91.77 122.18 34.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -139.06 137.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.3 p -66.51 142.71 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -137.33 99.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.22 31.28 18.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.39 -43.29 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.839 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.18 117.96 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 111.165 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -73.65 121.98 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.98 147.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.82 166.0 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tt -142.6 122.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.6 t70 -98.27 113.53 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 31' ' ' THR . 84.1 mt -107.65 126.73 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -137.08 104.15 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.197 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.72 113.26 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.7 m -93.71 109.54 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -175.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 179.854 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 C--O 1.231 0.128 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.6 ptm180 -59.51 -29.2 67.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.914 0.388 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.99 -36.46 79.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.65 -34.55 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.552 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -64.45 -32.39 74.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.706 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -76.13 -15.24 60.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.37 -39.83 18.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -62.18 -23.04 66.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.13 155.23 16.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.7 -51.07 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.617 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.4 156.93 23.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.672 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HZ ' ' HZ3' ' A' ' 115' ' ' LYS . 20.8 m-85 -128.73 141.25 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 110.677 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -126.26 108.77 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.77 113.99 20.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 126' ' ' VAL . 3.8 t -123.36 124.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.4 p90 -136.9 168.85 18.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.554 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -112.56 147.74 35.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 96' ' ' THR . 30.7 pt -77.43 -37.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 0.0 110.767 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 132' ' ' LEU . 23.2 p -60.95 -14.29 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.51 98.98 5.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -62.95 -16.29 58.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.55 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.27 -26.62 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.248 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 88.1 p -70.09 -53.62 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.778 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.7 -34.31 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.878 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.6 -54.05 10.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.42 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.299 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.633 ' HB ' HD11 ' A' ' 91' ' ' LEU . 4.1 p -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.086 0.469 . . . . 0.0 110.636 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.44 72.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.978 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.54 -43.23 77.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 6.7 m-85 -60.54 -24.66 65.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.175 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.43 -43.28 34.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.01 -37.37 72.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.474 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 43.3 mm-40 -64.01 -27.35 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.31 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.68 -26.33 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.6 mmm180 -50.5 -50.67 52.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -65.72 -33.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HZ3' ' HZ ' ' A' ' 89' ' ' PHE . 24.4 mmtm -104.55 53.12 0.74 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.446 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.58 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.14 -40.53 96.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 63.64 158.39 0.08 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.61 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.2 t70 179.71 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.766 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.7 mmtt -145.35 85.71 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.862 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.98 109.14 22.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.66 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.7 Cg_endo -84.02 132.67 5.49 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.519 2.146 . . . . 0.0 111.667 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.0 tp -146.61 156.88 43.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 111.281 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -155.87 128.63 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.211 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.608 HG11 ' CB ' ' A' ' 147' ' ' ALA . 2.4 p -100.02 143.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.037 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 92' ' ' VAL . 7.6 p -151.05 147.61 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -121.88 107.47 1.19 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.944 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -82.5 -176.25 6.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.992 0.425 . . . . 0.0 110.606 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? 55.44 24.56 6.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.945 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.9 m -70.36 2.64 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.128 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.66 -20.84 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 135' ' ' ARG . 3.4 mt -101.4 86.54 3.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 111.015 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.424 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.2 mt-10 -73.13 -26.16 61.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -88.64 -15.5 34.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.5 mtt180 -110.59 13.29 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.452 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.9 ttm180 -77.24 112.25 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.95 -31.44 25.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.81 107.38 48.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.361 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.87 136.17 74.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.131 1.888 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -55.61 -47.08 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.396 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.3 mt-10 -61.38 -41.55 97.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.31 -35.48 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.57 67.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.2 mtt180 -64.16 -38.63 91.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.26 -51.74 54.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.608 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -66.54 -40.11 88.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.71 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.03 -32.1 53.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -53.13 -36.47 60.84 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -74.39 -27.73 60.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.2 31.87 3.42 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.148 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.3 -175.4 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.32 135.36 51.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.76 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HA ' HG13 ' A' ' 125' ' ' VAL . 40.2 t80 -100.9 143.9 30.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.124 0.487 . . . . 0.0 111.848 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.39 148.98 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.826 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.17 139.22 30.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 164' ' ' ASN . 66.6 p -143.79 164.93 29.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.0 111.663 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 69.4 m -140.46 109.95 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.61 -9.78 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.373 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -90.7 -36.19 14.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 49.1 p -86.4 -20.25 28.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.609 HH11 ' HA ' ' A' ' 38' ' ' GLU . 6.4 mtm180 51.06 28.51 3.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.484 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.28 -56.62 4.31 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.499 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.17 15.9 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.0 p -65.78 -40.4 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.451 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.13 -22.9 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -57.34 -43.95 83.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.199 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.0 m -69.11 -27.01 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.78 -48.44 25.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -72.17 -47.96 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.09 -45.76 79.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.451 HD22 ' HG ' ' A' ' 90' ' ' LEU . 60.3 tp -65.18 -32.76 74.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.74 -39.62 92.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -69.25 -35.9 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.834 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.14 -32.66 70.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 180' ' ' LYS . 93.3 mt -72.89 -55.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.652 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.476 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.91 -24.39 66.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.863 -179.06 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.5 m -89.86 -59.41 2.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.445 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.1 tttp -70.66 -54.68 10.97 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 176' ' ' ILE . 27.5 mtpp -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 41.0 mtt -70.21 -13.17 62.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.261 . . . . 0.0 111.144 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.973 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.831 0.348 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -98.2 166.68 11.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.29 110.7 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.12 135.2 46.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 98.8 mttt -98.53 146.64 25.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -135.31 117.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.839 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.5 mm -100.88 105.83 18.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.8 tpt -70.5 89.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.183 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.8 p -101.52 162.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -179.04 -161.33 26.45 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 25' ' ' VAL . 31.0 t -59.71 -48.21 82.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.08 -28.93 0.52 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.8 38.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.615 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 22' ' ' SER . 71.8 t -78.72 -73.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 0.0 111.333 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' HD22 ' A' ' 30' ' ' LEU . . . -178.83 24.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 21.7 pttm -47.11 -45.36 22.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 111.217 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -65.56 -30.61 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.23 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.01 -52.55 59.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.91 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -61.0 -24.84 66.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.3 m -70.5 -45.65 65.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.581 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.98 -41.57 70.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.644 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.3 mm100 -56.79 -36.76 70.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.81 -25.64 61.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.847 0.356 . . . . 0.0 111.174 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -82.41 -49.26 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -115.5 -13.43 11.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.2 m-20 61.18 31.64 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.99 129.42 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.31 105.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -134.47 139.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.62 99.77 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -172.74 146.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -159.25 150.95 20.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.901 0.382 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 43.6 mm-40 -138.99 133.39 16.36 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.79 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 43.5 Cg_exo -57.53 143.45 94.55 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.438 2.092 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -83.73 151.08 25.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 47' ' ' LYS . 8.8 mtpm? -142.22 68.42 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.0 16.14 3.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.366 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -117.67 134.8 54.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.3 m -119.97 176.59 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 41.1 m-85 -90.64 153.41 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -147.14 130.31 16.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -160.12 143.69 14.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -82.55 130.26 35.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.66 150.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.51 127.43 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HH11 ' A' ' 177' ' ' ARG . 63.1 tp -130.38 95.2 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 57.44 31.17 19.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.626 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.44 -32.82 7.11 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.661 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.38 120.54 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.55 120.12 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.8 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 13' ' ' ALA . 26.8 m -133.51 146.58 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.5 144.81 27.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.08 146.04 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.3 t70 -127.94 113.64 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.713 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.533 HG12 ' HB ' ' A' ' 17' ' ' VAL . 80.2 mt -121.98 140.45 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -112.42 134.29 54.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.07 92.44 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.8 p -86.19 177.31 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.05 -177.54 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' HA2' HH22 ' A' ' 79' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.605 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 32.4 mm . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH22 ' HA2' ' A' ' 71' ' ' GLY . 38.0 mmt180 -56.04 -53.76 53.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.319 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 90.2 m-20 -59.38 -34.73 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.416 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -76.9 -29.38 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.515 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -83.02 -15.8 49.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.346 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.74 -33.45 31.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.305 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.1 m -92.73 13.97 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.211 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -122.44 161.11 16.75 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.696 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.548 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 16.2 mm-40 -110.58 -55.52 2.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.828 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.9 155.52 24.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.84 131.26 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.47 106.52 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 14.8 tp -82.62 133.36 35.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.43 130.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HB3' HG21 ' A' ' 104' ' ' THR . 35.5 p90 -141.43 141.43 33.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.636 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 p -85.4 139.99 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 129' ' ' LYS . 29.8 pt -76.82 -30.47 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.917 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.9 p -67.3 -17.26 64.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -126.45 107.15 10.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -62.83 -16.1 57.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.386 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.77 -26.75 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 0.0 110.612 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.2 m -68.15 -53.78 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.4 -35.41 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.908 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.0 p -72.49 -54.39 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.209 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.94 -40.63 94.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.694 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.3 p -55.68 -45.5 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 110.404 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.48 67.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.739 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.76 -29.23 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.919 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.61 -24.56 53.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.532 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -48.37 -41.08 27.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.99 -35.31 74.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -63.02 -40.53 98.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.422 HD11 HG11 ' A' ' 20' ' ' VAL . 93.4 mt -59.93 -41.7 86.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.436 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.04 -26.27 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -50.43 -51.32 47.64 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.716 0.293 . . . . 0.0 111.753 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -66.98 -36.75 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 111.314 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 76.0 mmtt -99.07 37.65 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.17 -19.7 65.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.234 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -106.64 2.47 25.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 32.1 tt0 -110.53 146.3 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.9 -66.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.277 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.31 121.79 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.096 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.9 mm -130.28 103.88 16.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' ' HD3' ' A' ' 180' ' ' LYS . 45.8 Cg_endo -68.26 96.3 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.285 1.99 . . . . 0.0 112.241 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.2 tp -119.19 157.54 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.3 tp -163.91 117.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.539 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -90.24 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 t -133.8 149.78 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.36 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.15 139.19 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.663 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -108.09 171.84 7.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.481 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.6 mmtp 61.44 18.65 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.156 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -59.39 -18.34 38.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.06 -4.13 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 110.597 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.513 HD13 ' HD3' ' A' ' 135' ' ' ARG . 54.4 mt -120.42 85.66 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.646 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.417 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 36.1 mt-10 -73.06 -31.25 64.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.45 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -78.16 -20.06 52.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.314 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.3 mtp180 -104.83 17.15 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.39 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.435 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.4 ttm105 -83.52 112.31 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -89.63 -27.44 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.1 104.97 32.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.76 128.95 32.46 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.17 1.914 . . . . 0.0 111.353 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 8.5 p -52.67 -44.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.271 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 140' ' ' VAL . 45.9 mt-10 -55.63 -46.96 77.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.46 -31.56 72.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.718 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.44 -28.54 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.926 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.7 mtm180 -74.78 -41.85 59.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -63.55 -36.6 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.303 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.511 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -76.83 -48.91 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.465 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.67 73.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.35 -32.2 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.2 -45.34 61.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.732 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 31.0 m0 -68.07 -23.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.35 18.45 11.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.973 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.15 174.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.369 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -116.96 128.06 54.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.565 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.1 t80 -95.06 141.11 29.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 111.37 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.79 149.33 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.94 138.95 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.086 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -145.32 152.22 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.824 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -116.66 109.53 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.38 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.23 -1.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.955 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -99.55 -42.63 6.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.686 0.279 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.422 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 82.3 p -92.2 -2.35 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.455 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 32.95 43.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.607 0.567 . . . . 0.0 112.053 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ALA . . . . . 0.454 ' C ' HD21 ' A' ' 164' ' ' ASN . . . -77.79 -55.79 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.548 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 164' ' ' ASN . 0.8 OUTLIER -111.91 15.74 20.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.65 -179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.8 p -64.72 -48.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.69 -24.2 59.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.699 0.285 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -57.27 -41.52 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.829 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.3 m -71.94 -26.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.688 0.28 . . . . 0.0 111.397 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -69.91 -44.41 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -72.11 -30.22 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -52.83 63.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.59 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.5 -31.32 71.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.1 tpp -53.16 -45.09 68.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.004 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -69.27 -34.0 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.05 -48.96 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.436 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.8 mt -58.11 -32.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.597 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.506 HH11 HD23 ' A' ' 57' ' ' LEU . 27.6 mtp180 -75.87 -51.98 11.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.5 m -87.95 -59.34 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.63 -54.39 40.28 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.8 tptm -60.55 -48.82 80.09 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.2 mmt -71.86 -12.61 61.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.644 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.451 179.697 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.28 152.29 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 tp -129.91 107.02 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.714 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -104.19 132.94 49.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -111.15 112.26 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -104.48 134.6 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.3 mm -112.54 111.98 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.3 mmm -62.62 97.73 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.327 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.4 p -103.67 164.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.484 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.03 -158.57 23.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.628 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.83 -51.12 61.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.05 -10.81 1.6 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.385 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.72 64.78 0.32 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.501 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.9 t -126.57 -45.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.88 41.85 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.628 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.5 mtmt -54.36 -28.36 42.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.641 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.554 ' O ' ' HB ' ' A' ' 31' ' ' THR . 82.7 p -82.54 -28.32 31.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.49 -52.66 64.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.352 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -63.29 -24.96 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.5 m -66.72 -53.44 33.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.557 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.46 -40.88 85.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.578 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -72.77 -25.57 61.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.2 tpp -81.99 -49.79 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -111.41 -7.68 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.0 m-20 57.73 30.59 19.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.931 0.396 . . . . 0.0 110.604 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -148.42 137.84 22.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.728 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -77.18 106.03 8.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.821 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -129.09 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -82.85 101.98 11.33 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.68 143.44 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -155.64 138.86 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -146.82 109.56 4.07 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.64 142.44 95.74 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.373 2.048 . . . . 0.0 112.005 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -132.18 153.26 50.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -106.56 -28.84 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -163.02 -4.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 48' ' ' ALA . 8.5 m-20 -72.54 133.68 44.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.4 t -128.36 174.45 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 53.7 m-85 -106.85 145.66 31.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -142.76 142.08 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.103 0.478 . . . . 0.0 111.448 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -159.35 146.92 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.448 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 99.4 mttt -86.64 127.7 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.0 111.544 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -138.33 144.8 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.677 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.8 p -79.43 144.41 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.5 tp -136.98 100.82 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 31.32 16.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.75 -38.22 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.687 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.38 113.99 26.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 tt0 -71.39 114.89 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.25 140.56 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 26.5 mt-30 -80.7 129.86 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -107.77 133.44 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.8 t70 -118.01 119.5 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 31' ' ' THR . 73.3 mt -107.79 115.93 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.408 . . . . 0.0 110.932 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tp -122.27 124.15 43.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.113 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.77 149.76 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -126.56 -85.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.64 -166.44 0.32 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.097 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.24 179.649 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.893 0.378 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -51.08 -40.02 57.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.03 -38.18 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.65 -39.6 81.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.321 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -76.35 -36.85 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.452 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -71.8 -16.58 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.91 -22.66 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -90.51 8.08 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.03 132.31 6.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.277 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.82 -51.5 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 111.061 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -95.3 164.21 24.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.676 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.2 141.65 44.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 124' ' ' LEU . 15.6 mt -124.64 103.99 8.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -82.31 127.6 33.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.88 136.33 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.119 0.485 . . . . 0.0 112.045 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.625 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -147.25 141.35 26.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.152 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -78.71 143.11 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 111.256 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' A' ' 129' ' ' LYS . 25.5 pt -73.65 -32.79 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.768 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.3 p -76.03 -0.49 21.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.666 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -131.56 93.86 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.28 -16.95 61.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -73.39 -26.48 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 110.252 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -69.48 -52.02 30.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.434 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -56.52 -35.87 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 0.0 111.528 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.6 p -71.98 -53.68 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.83 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.618 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.9 p -55.72 -31.87 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.86 -46.63 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -57.84 -33.53 68.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.212 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -51.59 -43.0 62.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.18 -38.01 72.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -62.45 -28.54 69.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.78 -36.17 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.38 -25.28 66.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.238 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -50.8 -51.04 54.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.6 m -69.12 -12.99 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.61 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.7 mmtt -128.94 52.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -37.53 28.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.616 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.28 -51.23 69.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.414 . . . . 0.0 110.321 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 59.37 107.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -131.86 -47.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.597 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 34.2 mmtp -148.31 76.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.596 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.9 mm -77.29 114.46 40.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.992 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.494 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -88.09 126.27 2.0 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.783 2.322 . . . . 0.0 112.056 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 67.6 tp -146.61 162.85 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.727 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.483 ' HB3' HD23 ' A' ' 90' ' ' LEU . 43.0 tp -161.43 113.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.072 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.784 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -84.17 143.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.205 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 168' ' ' VAL . 13.2 t -148.91 153.15 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.02 127.46 5.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.003 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -96.56 -164.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.585 0.231 . . . . 0.0 110.456 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.693 ' HB3' HG12 ' A' ' 95' ' ' ILE . 9.6 tppt? 65.62 12.89 8.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.062 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.63 -14.86 9.34 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.54 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.37 -8.89 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.648 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 135' ' ' ARG . 34.8 mt -121.21 74.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.62 -25.11 66.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -85.8 -6.34 59.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.503 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.3 mtt180 -118.15 8.16 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.432 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.473 HH22 ' HG2' ' A' ' 156' ' ' GLU . 12.0 ttm180 -73.29 108.16 6.01 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.485 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.18 -31.72 33.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.392 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.87 107.08 41.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.56 131.13 42.56 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.994 1.796 . . . . 0.0 111.33 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -49.2 -45.91 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.361 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.24 -49.47 71.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.17 -29.88 71.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.69 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 89.3 mtt180 -77.56 -38.12 49.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.503 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.5 -48.6 32.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.993 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.784 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.71 -28.83 68.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.553 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.17 -32.18 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -51.99 -38.69 57.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -71.92 -24.69 61.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.8 7.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.409 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -176.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.029 0.442 . . . . 0.0 111.661 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -126.94 136.32 52.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.639 ' HA ' HG13 ' A' ' 125' ' ' VAL . 75.4 t80 -94.84 134.55 37.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.973 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.63 155.08 40.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.473 ' HG2' HH22 ' A' ' 136' ' ' ARG . 37.1 mt-10 -88.61 144.86 26.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.9 p -151.94 170.95 18.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.036 0.445 . . . . 0.0 111.853 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 37.9 t -150.73 115.28 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.54 0.43 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -99.85 -46.0 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 p -91.28 -4.41 55.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.429 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 35.41 38.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.528 0.518 . . . . 0.0 111.752 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.94 -52.28 9.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.872 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.19 13.7 21.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.838 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -63.54 -36.07 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.73 -27.28 61.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -60.29 -31.21 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.579 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 126' ' ' VAL . 2.5 m -74.57 -36.71 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 111.385 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.33 -37.62 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -71.73 -49.96 34.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.21 -48.94 73.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.314 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.5 tm? -60.28 -41.1 92.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.013 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.436 ' HB2' ' HE3' ' A' ' 173' ' ' MET . 44.5 ttm -56.74 -46.13 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.46 ' HG2' HD11 ' A' ' 57' ' ' LEU . 89.4 mtm180 -69.62 -40.2 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.75 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.29 -35.08 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.639 HD11 ' HA3' ' A' ' 88' ' ' GLY . 97.3 mt -72.93 -54.68 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 111.73 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 7.3 ppt_? -60.6 -26.25 66.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.622 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.8 m -87.41 -59.26 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.9 tttp -70.67 -53.94 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.6 tttp -61.15 -59.17 5.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.6 mmt -57.38 -13.92 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.767 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 46.9 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.31 151.02 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 tp -123.51 105.87 10.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.205 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -104.52 114.19 28.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -101.62 107.63 18.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.379 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.66 139.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.421 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.0 mm -106.34 141.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.089 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 tpt -91.55 87.69 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -97.7 162.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.51 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 173.57 -160.57 30.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.653 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 84.4 p -61.72 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.829 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' H ' ' HZ1' ' A' ' 27' ' ' LYS . . . 127.25 -5.12 7.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.14 82.72 0.08 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 93' ' ' PHE . 10.9 m -140.95 -33.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.3 45.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.409 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HZ1' ' H ' ' A' ' 23' ' ' GLY . 52.5 mttp -55.93 -43.73 77.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.004 0.431 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.522 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.1 p -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.282 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.069 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -63.8 -24.57 67.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.1 m -67.12 -48.95 66.54 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.173 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.57 -44.46 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.46 -35.97 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.631 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -72.36 -30.11 64.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.435 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ttm -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -121.18 -10.34 9.0 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 162' ' ' ARG . 9.0 m-20 59.94 29.84 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.68 127.33 47.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -83.16 113.82 20.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.12 141.15 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.1 -52.03 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 128.96 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -119.34 158.61 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -107.91 124.8 33.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 144.39 73.17 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.215 1.943 . . . . 0.0 112.362 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -117.14 117.53 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -111.77 -39.08 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.89 4.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.74 132.41 38.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 m -112.3 163.51 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 56.8 m-85 -103.37 152.82 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.378 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -137.39 144.06 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.956 0.407 . . . . 0.0 111.258 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -157.8 158.14 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.38 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -110.21 124.12 51.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 111.337 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.38 142.61 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.5 p -98.47 146.2 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.023 0.439 . . . . 0.0 111.911 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 173' ' ' MET . 56.3 mt -123.72 94.65 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 54.9 30.88 14.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.464 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.88 -54.17 0.75 Allowed Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.519 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -80.09 118.67 22.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.801 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -92.35 131.37 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.98 154.89 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -84.62 142.51 29.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.249 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.6 tt -115.32 145.4 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.1 t70 -136.27 113.67 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.8 mt -106.43 137.3 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.202 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.43 106.02 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.32 131.23 34.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.2 p -107.76 123.42 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.5 -159.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.554 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -54.73 -30.02 55.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.284 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -53.81 -32.57 53.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -72.99 -35.8 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.213 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.78 -26.91 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.75 -18.51 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HE ' HG12 ' A' ' 114' ' ' VAL . 29.7 ttm180 -83.95 -20.66 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.951 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.5 p -94.34 13.23 24.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.421 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -135.84 171.73 22.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.4 -53.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.648 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -92.2 163.13 27.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -138.39 136.87 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -122.0 106.09 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -83.28 96.12 8.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.244 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.696 HG23 HG13 ' A' ' 126' ' ' VAL . 13.7 p -109.29 134.56 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.982 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.7 p90 -143.24 -175.12 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.2 m -119.66 146.87 45.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.542 HD13 ' HE ' ' A' ' 136' ' ' ARG . 5.6 pt -78.72 -34.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.1 p -59.39 -20.48 55.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.369 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -123.13 104.18 9.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -63.05 -19.64 64.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.93 -25.88 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.439 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 16.4 m -66.48 -53.38 35.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.313 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -58.85 -35.45 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.07 0.462 . . . . 0.0 111.245 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -71.61 -52.61 17.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.491 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.79 -37.83 83.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.563 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.1 p -57.3 -38.25 73.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.124 0.488 . . . . 0.0 110.635 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.33 71.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.17 -44.78 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.409 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 9.9 m-85 -59.03 -25.01 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.209 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' A' ' 111' ' ' ILE . 18.3 ttt180 -50.4 -37.48 37.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.321 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.67 -46.45 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.424 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 107' ' ' PHE . 1.9 mp0 -56.43 -25.26 49.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.114 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 108' ' ' ARG . 93.5 mt -67.21 -45.05 87.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.87 -26.55 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.735 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.1 mmt180 -52.41 -50.53 62.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -70.57 -38.92 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.753 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.615 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -98.89 37.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.86 -26.81 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -90.12 -25.0 20.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.8 tp10 -83.49 141.9 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.986 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.19 -60.52 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.85 123.06 23.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.721 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 41.8 mm -123.03 104.97 35.03 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 28.4 Cg_endo -63.02 123.45 12.25 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.324 2.016 . . . . 0.0 111.91 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.8 tp -145.81 159.54 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 111.274 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.0 tp -160.83 128.65 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.475 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.636 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -101.7 142.53 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 92' ' ' VAL . 14.3 p -151.63 151.83 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.39 115.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 157' ' ' THR . 35.5 p30 -79.4 -160.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.433 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 61.76 13.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.57 0.224 . . . . 0.0 111.205 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.446 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.1 t -57.74 -13.99 5.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.7 -5.41 15.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 44.4 mt -123.54 85.17 2.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.9 -39.63 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.317 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.0 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.43 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.529 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.7 mtp180 -110.04 3.59 20.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.542 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.37 109.65 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -89.81 -27.64 19.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.483 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 75.9 t -94.04 104.44 13.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 21.5 Cg_endo -62.75 128.2 22.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.094 1.863 . . . . 0.0 111.468 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -48.32 -42.77 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.456 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.11 -49.59 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.5 -35.04 79.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.03 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.2 mtm180 -77.62 -31.23 52.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -65.58 -52.11 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.387 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -47.39 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.57 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.22 -46.65 89.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.962 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.93 -32.61 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.346 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.86 -39.78 59.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.844 0.354 . . . . 0.0 110.452 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.421 ' NE1' ' HD2' ' A' ' 108' ' ' ARG . 8.9 m0 -73.67 -24.9 60.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.24 16.5 13.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.928 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.62 174.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 111.462 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.07 141.95 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.772 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.636 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.9 t80 -102.84 140.73 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 111.415 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.19 155.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.98 147.23 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 26.6 p -148.48 169.0 21.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.482 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.8 m -141.16 111.68 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.597 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.94 -0.45 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -99.18 -41.56 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -94.27 -7.51 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 37' ' ' ASP . 6.7 ppt_? 35.99 36.52 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.233 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.85 -55.62 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.813 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.89 18.08 19.17 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 30' ' ' LEU . 7.5 p -66.61 -42.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.716 0.293 . . . . 0.0 110.897 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.1 -14.75 61.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -58.73 -39.85 82.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.589 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -76.85 -26.84 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -72.83 -45.6 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.694 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -72.04 -32.2 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.25 -51.22 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.2 tm? -60.49 -36.9 79.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.278 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 57' ' ' LEU . 44.4 ttm -57.65 -44.44 85.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.59 -37.38 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.2 -51.02 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.648 HD11 ' HA3' ' A' ' 88' ' ' GLY . 73.1 mt -58.11 -31.94 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.272 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -73.54 -53.07 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.681 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.4 m -87.72 -58.92 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -58.02 -53.92 52.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.9 tttm -64.88 -54.89 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 51.3 mtt -61.41 -17.94 56.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.509 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 137.9 31.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -120.45 107.47 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.31 139.25 39.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 61.1 mttm -124.49 115.9 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.291 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.1 133.19 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.277 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.7 mm -109.71 114.58 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.6 mmm -65.18 96.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -100.65 167.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.749 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 175.05 -156.53 22.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.723 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 28.7 t -61.52 -41.3 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.958 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.77 -6.57 4.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.7 40.48 0.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 22' ' ' SER . 79.3 t -95.47 -50.31 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.635 0.255 . . . . 0.0 111.361 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.61 37.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.4 mttt -48.98 -34.91 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.449 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.5 p -80.87 -28.78 35.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.807 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.56 -53.27 60.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.5 mm? -63.33 -24.49 67.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 44.3 m -67.46 -56.06 11.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.892 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.54 -40.59 75.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.292 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -59.41 -42.57 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 111.223 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.81 -31.9 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mmm -81.6 -50.35 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.85 -6.97 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 58.1 77.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.014 0.435 . . . . 0.0 110.804 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -168.01 130.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -80.93 109.22 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.272 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.64 145.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.65 -25.86 7.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.36 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.08 163.27 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 t80 57.36 101.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.51 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -153.33 73.07 6.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.0 126.43 9.32 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.598 2.198 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.5 m -136.92 105.96 5.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -121.85 -67.03 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.82 -5.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.09 127.71 33.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -111.13 165.83 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -104.19 159.14 15.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -148.79 144.43 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -168.56 136.01 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 122.27 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.65 141.07 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 9.0 p -76.1 139.45 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.09 113.27 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.44 31.54 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.07 -32.16 5.83 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.555 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.69 115.14 27.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -74.85 114.19 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.034 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -121.77 145.97 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.05 134.21 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -106.27 138.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.577 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.4 t70 -126.27 113.64 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.409 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.34 149.7 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 111.614 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 69' ' ' THR . 2.1 tm? -130.12 122.09 27.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.902 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -46.35 -57.71 4.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.867 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.475 ' H ' HD13 ' A' ' 67' ' ' LEU . 24.4 m 65.04 101.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.16 -169.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.8 mt . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.851 0.357 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -53.98 -45.55 71.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.83 -36.79 82.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -56.3 -39.84 73.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -68.81 -38.76 80.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.339 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB2' HG11 ' A' ' 114' ' ' VAL . 24.0 m-85 -68.46 -20.61 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -79.44 -6.86 57.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -93.14 0.19 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.6 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -149.32 150.1 22.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.12 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 39.7 mt-10 -85.86 -47.39 9.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.872 0.368 . . . . 0.0 110.607 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 166.09 33.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -139.55 136.25 34.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.9 102.17 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.81 114.39 21.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 126' ' ' VAL . 85.2 t -121.84 139.16 49.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.6 p90 -146.9 154.76 41.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.94 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.46 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 75.0 m -94.17 134.26 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.411 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 33.4 pt -65.91 -21.32 28.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 132' ' ' LEU . 24.4 p -81.0 -47.63 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.008 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.67 101.79 11.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 102' ' ' THR . 58.7 t-80 -62.7 -18.14 61.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.24 -26.91 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.734 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 24.1 m -70.4 -53.87 14.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.531 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.26 -44.14 67.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.883 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 98' ' ' HIS . 2.5 t -72.46 -53.1 13.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.423 ' H ' HG23 ' A' ' 102' ' ' THR . . . -57.47 -41.73 81.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.852 0.358 . . . . 0.0 111.43 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 91' ' ' LEU . 9.6 p -54.96 -34.69 63.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.199 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.01 71.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.46 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -68.23 -45.21 73.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -59.21 -25.05 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -49.3 -49.86 41.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.281 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.63 -29.45 65.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.381 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.63 -27.58 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.14 -40.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.474 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.4 -26.65 66.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -50.93 -51.14 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.83 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 83' ' ' PHE . 13.5 m -69.5 -52.12 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.985 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -85.98 39.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -6.8 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.49 -18.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.084 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -93.99 145.15 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.24 -37.93 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.555 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -99.65 105.24 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.6 mm -99.78 105.28 33.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.424 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.24 122.75 10.57 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.299 1.999 . . . . 0.0 111.897 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -140.48 155.06 46.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.39 122.94 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.11 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 147' ' ' ALA . 4.6 p -97.63 143.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.501 . . . . 0.0 111.826 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 168' ' ' VAL . 22.0 t -139.99 127.21 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.307 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.99 123.55 7.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.917 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -93.3 -168.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.46 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 70.1 mmtt 58.92 18.23 6.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.4 m -65.41 -12.67 54.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.34 9.64 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 30.0 mt -128.33 82.02 2.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.74 -28.14 62.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -84.67 -40.65 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 78.6 mtp180 -78.92 0.18 28.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.411 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 39.3 ttm180 -64.47 111.77 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -87.75 -33.18 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.528 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -105.58 117.15 58.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.57 124.51 14.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.794 1.662 . . . . 0.0 111.421 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -51.44 -43.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.184 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -63.23 -38.28 90.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.59 70.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -72.57 -34.28 67.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.185 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -65.79 -53.25 42.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.444 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.565 ' HZ3' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -61.81 -47.49 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.27 -47.29 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -51.4 -31.69 23.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.528 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 151' ' ' GLY . 20.0 mm-40 -51.97 -43.21 63.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.565 ' HE1' ' HZ3' ' A' ' 146' ' ' LYS . 7.4 m0 -71.03 9.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.95 25.88 75.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.272 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 150' ' ' TRP . 20.0 m -121.72 162.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 111.638 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -104.46 126.02 51.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.482 ' HA ' HG13 ' A' ' 125' ' ' VAL . 19.0 t80 -95.36 130.42 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.985 0.422 . . . . 0.0 111.104 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.3 t -123.52 150.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.23 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.42 139.92 30.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 164' ' ' ASN . 40.3 p -146.9 166.44 26.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.104 0.478 . . . . 0.0 111.657 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.438 ' HB3' ' OG1' ' A' ' 161' ' ' THR . 36.3 t -139.51 112.58 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.997 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.49 -6.3 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.845 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -96.9 -34.95 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 111.215 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 158' ' ' SER . 58.6 p -97.96 -9.04 26.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.467 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.5 ppt_? 34.08 41.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.641 0.588 . . . . 0.0 111.853 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.55 -55.62 5.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.364 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 157' ' ' THR . 0.1 OUTLIER -111.97 12.55 20.74 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.761 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 168' ' ' VAL . 46.5 t -64.68 -46.82 91.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -73.29 -15.18 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -69.14 -45.34 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.354 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 126' ' ' VAL . 35.1 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.482 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.413 ' O ' ' HG3' ' A' ' 173' ' ' MET . 14.3 m-85 -66.53 -47.5 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.509 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -68.52 -35.14 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.454 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 19.2 t70 -62.46 -31.94 72.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 175' ' ' GLU . 57.5 tp -72.53 -47.15 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.401 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 28.8 mtm -55.39 -35.82 65.73 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.743 0.306 . . . . 0.0 111.509 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 74.8 mtm180 -69.76 -47.91 61.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 172' ' ' LEU . 11.4 pt-20 -67.76 -25.36 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.54 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 79.1 mt -71.18 -55.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.341 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 181' ' ' MET . 61.3 mtp180 -59.44 -28.78 67.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.5 m -86.85 -59.16 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 182' ' ' SER . 82.5 tttt -70.9 -53.95 13.22 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 62.8 tttm -58.29 -52.97 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -65.88 -15.34 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.638 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 35.4 t . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 111.107 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 158.24 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -123.99 113.98 19.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -110.49 154.14 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.781 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.38 141.26 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.21 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.568 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -132.38 115.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mm -99.46 106.23 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 78.6 mmm -59.94 91.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.204 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.7 p -98.84 159.71 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.193 -179.418 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.66 -161.29 24.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 80.0 p -60.2 -40.54 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.416 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.08 36.98 0.68 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.308 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.96 39.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.578 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.6 t -99.66 -73.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.13 43.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.145 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -53.67 -46.78 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.224 -179.84 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.8 p -51.0 -29.91 13.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.11 -52.72 62.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.798 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.07 -25.11 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.826 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.4 m -65.49 -46.43 79.77 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.33 -44.43 65.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.496 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.6 mm100 -56.99 -41.79 79.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -72.54 -25.01 61.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.785 0.326 . . . . 0.0 111.517 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.8 ttm -81.46 -46.01 15.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.024 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -123.86 -7.09 7.88 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 58.4 44.17 18.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.481 . . . . 0.0 110.597 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -154.11 127.53 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.023 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.44 143.19 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.55 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -80.73 18.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -116.36 175.96 5.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -158.42 -176.91 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.746 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.85 134.2 11.36 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 151.4 35.17 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.491 2.127 . . . . 0.0 112.233 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -68.58 103.11 1.61 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -97.84 27.11 4.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.86 15.38 8.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -107.77 131.28 54.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -87.49 175.15 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.244 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -123.87 154.98 38.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.572 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 80.9 mtm180 -142.38 145.4 33.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.386 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 39.2 ttpt -151.16 154.64 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -98.77 128.97 45.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.57 146.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.456 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.5 p -106.78 141.32 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.951 0.405 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.84 103.67 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 56.18 31.21 17.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.232 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.47 -46.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.064 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.85 114.05 15.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -91.34 114.15 26.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.41 163.18 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.307 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.9 139.69 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 13.6 tt -110.12 139.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.762 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.5 t70 -131.01 122.59 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG12 ' HB ' ' A' ' 17' ' ' VAL . 92.2 mt -125.71 128.54 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -101.2 112.66 25.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.61 140.27 42.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -161.85 150.31 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.29 -176.57 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.335 179.709 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.91 0.386 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -51.48 -40.96 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.84 -31.77 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.469 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.05 -36.84 82.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.897 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -77.61 -41.7 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.47 -26.5 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -73.43 -15.97 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -104.99 9.65 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.16 138.81 12.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.767 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -86.44 -54.79 4.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.58 158.7 20.37 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.29 135.96 43.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.594 0.235 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -125.55 105.28 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.843 179.489 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.7 tp -82.23 119.28 23.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.668 0.271 . . . . 0.0 110.281 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 126' ' ' VAL . 8.8 t -133.29 138.87 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.902 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 25' ' ' VAL . 12.8 p90 -145.27 171.02 15.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.345 178.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' HG13 ' A' ' 25' ' ' VAL . 56.0 m -107.68 137.94 44.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.249 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.472 HD13 ' HE ' ' A' ' 136' ' ' ARG . 17.6 pt -64.99 -35.79 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 179.209 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 p -66.97 -14.34 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -119.62 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.709 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -63.13 -16.44 60.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -73.47 -26.48 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -71.49 -50.35 32.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.859 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -50.76 -33.6 23.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 111.934 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -72.78 -53.76 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.818 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.4 -36.38 83.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.6 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.6 p -58.1 -33.13 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.77 68.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.854 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.19 -49.78 40.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -53.62 -30.64 43.65 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.001 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -50.23 -41.09 49.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.689 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.25 -45.95 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.4 -28.62 59.86 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.86 -43.0 87.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.289 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.71 -26.43 66.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.765 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -53.35 -50.53 64.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 10.3 m -70.59 -44.34 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.006 -179.102 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -94.59 34.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.18 -27.18 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.69 -32.87 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.37 168.99 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -120.43 -33.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -93.13 106.66 18.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.527 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.84 104.61 50.85 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.358 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' HE3' ' A' ' 180' ' ' LYS . 40.6 Cg_endo -66.94 132.07 27.23 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.333 2.022 . . . . 0.0 112.014 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.9 tp -148.49 155.2 40.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.008 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 90' ' ' LEU . 28.9 tp -162.24 129.23 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.285 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -95.25 141.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 111.026 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 92' ' ' VAL . 21.7 t -137.11 151.87 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.87 103.97 0.51 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.1 p-10 -81.26 -166.22 1.11 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 63.22 12.74 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -60.22 -14.3 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.17 -7.32 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.555 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 135' ' ' ARG . 55.6 mt -116.41 80.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.718 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.88 -17.18 62.73 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.47 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.9 pt-20 -93.48 -6.83 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.471 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.47 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.4 mtt180 -122.05 15.5 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.369 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.472 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.7 ttm180 -77.28 108.25 10.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -84.97 -31.69 23.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.312 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 48.5 t -103.68 101.03 21.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.569 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 11.6 Cg_endo -55.98 142.55 84.93 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.177 1.918 . . . . 0.0 111.208 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.3 p -55.34 -48.42 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.759 -179.253 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.7 mt-10 -54.9 -49.71 70.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.544 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.4 -36.41 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.757 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.1 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -77.61 -32.61 53.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -66.31 -46.84 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -44.31 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.552 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -63.33 -41.19 98.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.89 -31.68 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.03 -44.45 61.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.622 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.28 -23.0 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.11 28.62 5.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.19 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.15 -178.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.197 0.523 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.34 145.3 50.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.2 t80 -107.31 137.65 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.315 0.578 . . . . 0.0 111.814 -179.033 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.13 149.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.01 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 70.7 p -143.89 165.45 27.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.478 -179.195 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.1 p -146.0 110.92 5.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.552 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.75 -4.3 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.814 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.89 -54.52 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 p -94.03 1.43 56.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.496 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 32.31 48.93 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.9 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.72 -56.03 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.094 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -111.99 11.63 20.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -63.52 -43.19 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.795 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.3 m-20 -73.86 -21.96 59.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 167' ' ' LYS . 34.1 tptt -65.04 -41.97 94.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.706 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 165' ' ' VAL . 13.7 m -69.99 -27.25 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.794 0.33 . . . . 0.0 111.706 -178.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -75.28 -47.71 26.65 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -70.21 -41.44 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.419 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.36 -42.63 92.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.33 -32.41 68.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.5 ttm -62.47 -48.73 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -62.07 -31.05 71.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 86.4 mt -72.84 -54.48 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -52.18 -36.35 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.7 m -86.74 -58.95 2.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 83.8 tttt -70.41 -54.76 11.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.075 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 4.7 tppp? -57.33 -47.02 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.0 mmt -72.6 -13.0 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.734 179.973 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.36 141.9 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 HE21 ' A' ' 63' ' ' GLN . 1.8 tm? -107.63 107.18 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.76 122.72 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -105.11 117.94 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.988 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 134.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.552 HD11 ' HA3' ' A' ' 86' ' ' GLY . 28.4 mm -99.02 131.84 45.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tpt -85.15 95.67 9.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.564 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 1.9 t -83.89 167.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 173.53 169.17 35.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.695 179.73 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.9 t -58.48 -67.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.118 0.485 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.99 -28.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.118 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.2 39.34 1.25 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.425 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 22' ' ' SER . 74.9 t -88.06 -62.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.687 0.279 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.42 43.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.726 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptpp? -54.64 -37.35 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 110.875 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' A' ' 31' ' ' THR . 69.7 p -66.95 -30.0 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.119 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.61 -52.44 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -60.17 -24.65 64.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.095 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.1 m -74.09 -44.33 54.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.789 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.68 -38.95 73.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 mm100 -59.12 -37.85 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.976 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.67 -25.32 61.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.478 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 tpp -82.02 -49.61 10.05 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -108.51 -10.37 15.27 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.0 t70 60.03 31.99 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 110.519 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.08 151.94 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -90.39 105.98 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.46 151.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.978 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -112.92 117.39 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -134.62 -40.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 59.16 99.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -143.21 98.88 5.47 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.7 157.68 22.72 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.474 2.116 . . . . 0.0 112.094 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.609 HG21 ' H ' ' A' ' 69' ' ' THR . 13.7 t -113.4 155.65 24.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -126.13 -35.22 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.65 -7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.6 m-20 -80.51 133.68 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.9 p -130.0 176.58 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.018 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -104.85 149.6 25.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -144.01 129.66 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.892 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.41 139.95 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 60.9 mttp -85.64 126.62 34.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.72 137.29 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -67.41 132.45 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 174' ' ' ARG . 55.1 tp -134.17 107.04 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 56.27 31.34 18.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.91 -29.63 12.07 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.98 114.9 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.802 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.1 tt0 -74.4 118.15 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.34 147.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.264 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.552 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -82.29 129.52 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -108.88 138.1 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -120.19 113.81 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.4 mt -114.7 133.03 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.92 134.51 51.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.6 -43.49 89.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.609 ' H ' HG21 ' A' ' 46' ' ' THR . 73.1 p 51.74 -172.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.433 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.5 -175.85 0.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.181 179.615 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.886 0.374 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -59.01 -37.15 76.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.73 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -53.93 -34.82 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -65.38 -45.63 83.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.304 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -65.78 -32.04 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.772 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -77.93 -7.95 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -96.66 5.97 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.552 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -138.94 167.05 25.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.575 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 41.4 mt-10 -106.86 -40.6 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.686 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -98.15 160.04 20.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.646 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -135.94 135.34 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.63 0.252 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 124' ' ' LEU . 28.0 tp -130.28 106.37 8.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.974 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.7 tp -83.06 138.81 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.688 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 126' ' ' VAL . 88.9 t -142.42 131.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 0.0 111.621 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.2 p90 -138.32 158.07 45.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.541 178.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.3 t -99.03 144.07 28.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 36.0 pt -77.26 -33.97 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.955 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -67.46 -10.62 53.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.18 99.89 4.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -62.8 -16.17 56.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.268 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.27 -26.52 62.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 89.6 p -67.19 -53.65 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.64 -38.51 55.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.664 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 50.2 p -71.89 -54.27 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.178 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.93 89.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.586 ' HB ' HD11 ' A' ' 91' ' ' LEU . 33.1 p -54.36 -31.51 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.605 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -63.13 -34.64 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.172 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -49.07 78.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.549 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 111' ' ' ILE . 69.9 m-85 -56.59 -34.67 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.2 tmt_? -49.91 -50.66 45.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.49 -37.0 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.18 -26.8 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.401 -179.564 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.6 mt -63.21 -41.7 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.951 0.405 . . . . 0.0 110.715 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.07 -29.85 68.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -63.83 -50.98 66.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.447 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.0 m -66.35 -13.68 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -121.12 36.07 4.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -13.15 14.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -98.5 -23.23 15.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.4 tp10 -95.9 141.22 29.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.93 -49.21 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -76.52 107.46 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.1 mm -121.04 103.36 42.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.686 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 71.8 Cg_endo -76.92 123.83 7.04 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.488 2.125 . . . . 0.0 112.178 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.7 tp -135.69 161.38 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 90' ' ' LEU . 51.7 tp -165.68 127.88 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.224 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.7 p -101.32 143.33 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 0.0 111.46 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 127' ' ' GLY . 34.6 t -141.88 156.07 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -129.27 128.17 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.66 -170.5 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 60.15 14.61 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 136' ' ' ARG . 42.7 t -62.61 -14.9 48.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.15 -15.33 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HD3' ' A' ' 135' ' ' ARG . 39.5 mt -108.43 81.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.691 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.78 -17.49 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -91.88 -21.05 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.524 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.0 mtp180 -105.95 25.49 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.454 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.7 ttm105 -95.15 110.97 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.25 -31.8 22.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.6 107.53 40.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.283 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.59 130.96 35.57 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.001 1.801 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -48.35 -44.59 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -179.525 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.45 -47.77 75.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.38 -39.15 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.76 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.8 mtt180 -73.76 -38.49 64.69 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -63.09 -49.75 73.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -66.72 -43.59 83.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.817 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.11 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.267 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.06 -32.67 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -54.8 -38.66 67.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.447 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 22.1 m0 -70.36 -21.42 62.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.84 20.52 10.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.554 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.3 m -127.17 175.85 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.504 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -117.71 130.3 56.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.832 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.519 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.5 t80 -95.29 140.29 30.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.113 0.483 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.46 150.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.85 143.05 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.698 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 38.9 p -149.44 153.9 38.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.514 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.5 m -117.56 109.96 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.27 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.303 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -88.19 -34.07 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.7 p -100.89 -8.5 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? 34.95 37.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.565 0.541 . . . . 0.0 111.992 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.66 -55.65 5.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.124 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -108.9 13.05 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.555 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.7 t -68.98 -42.12 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.281 . . . . 0.0 111.111 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.03 -14.88 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -69.44 -31.83 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.0 m -76.81 -26.93 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.153 -179.583 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -72.06 -45.91 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -69.34 -36.9 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.48 -54.01 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.43 -36.06 82.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.8 ttm -56.96 -42.61 80.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 57' ' ' LEU . 93.8 mtt180 -67.99 -34.58 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.7 -33.39 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.3 mt -73.06 -54.97 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.425 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.467 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -57.35 -28.24 62.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.493 -179.23 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 61.2 m -88.21 -60.43 1.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.79 -54.54 9.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 54.6 tptt -58.01 -39.28 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.5 mmt -81.16 -14.58 57.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 179.912 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 62' ' ' VAL . . . -103.55 177.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.4 tp -132.88 107.92 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.46 ' CD2' HG21 ' A' ' 62' ' ' VAL . 56.7 m-70 -104.24 115.11 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.81 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -93.76 117.45 30.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -107.16 128.89 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.18 132.96 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -83.92 83.69 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.715 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -90.84 153.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -175.51 -160.01 22.47 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.725 -179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.0 p -66.34 -46.94 75.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.643 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.82 -6.74 1.87 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.061 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.29 73.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.74 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' HE2' ' A' ' 27' ' ' LYS . 18.6 m -129.64 -20.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.841 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.37 49.54 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.923 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -60.71 -43.48 97.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.097 0.475 . . . . 0.0 110.411 179.817 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.2 p -57.67 -29.26 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.142 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.97 -52.26 66.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.91 -179.262 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -62.11 -24.83 67.37 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.627 HG23 HG21 ' A' ' 66' ' ' ILE . 86.5 m -73.43 -41.54 63.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.69 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.759 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -66.26 -28.71 68.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 111.333 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -73.54 -53.52 10.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.873 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 ttm -82.38 -49.72 9.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -89.17 -26.22 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.1 m-20 57.2 42.94 24.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.047 0.451 . . . . 0.0 110.217 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.09 141.01 21.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.204 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.93 106.94 19.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.663 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.7 p -134.94 151.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -83.16 7.17 16.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.569 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.4 t70 -93.43 139.07 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.062 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.28 171.8 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.25 124.2 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.767 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.35 122.6 12.07 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.366 2.044 . . . . 0.0 112.356 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.9 m -91.94 136.63 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.6 ttmp? -131.08 -46.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -162.17 -11.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' H ' ' H ' ' A' ' 48' ' ' ALA . 14.7 t70 -76.35 134.32 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.5 t -119.02 173.64 6.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -115.39 158.59 22.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -143.93 138.47 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -152.64 156.37 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -115.48 123.31 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.22 147.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.3 p -79.03 146.18 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.42 111.4 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.95 31.33 20.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.557 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.18 -19.64 45.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -106.78 114.6 28.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.5 tt0 -78.58 144.28 35.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.46 HG21 ' CD2' ' A' ' 15' ' ' HIS . 13.5 p -146.1 153.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.76 143.46 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.39 132.35 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -119.64 116.18 25.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.684 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 31' ' ' THR . 82.4 mt -109.89 128.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 111.365 -179.6 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -125.2 113.94 18.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.134 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -78.77 117.16 19.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.2 p -102.08 117.5 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.83 -176.42 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.679 -179.842 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.967 0.413 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -55.26 -42.5 73.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.65 -31.34 47.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.338 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.37 -49.3 77.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -60.42 -35.38 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.301 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -78.14 -25.74 47.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' N ' HG11 ' A' ' 114' ' ' VAL . 55.2 ttt180 -83.81 -17.27 41.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -88.32 7.83 30.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.31 142.9 11.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 12.6 mm-40 -89.88 -37.14 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.87 20.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.1 143.0 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.006 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -136.04 105.02 5.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.294 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' HB ' ' A' ' 104' ' ' THR . 18.8 tp -83.0 132.53 35.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.285 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 126' ' ' VAL . 25.2 t -131.92 119.61 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.687 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.5 p90 -126.96 141.29 51.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.91 0.386 . . . . 0.0 110.465 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.0 t -85.93 143.58 28.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.358 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.435 HD11 ' O ' ' A' ' 129' ' ' LYS . 5.0 pt -78.79 -32.95 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.684 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 p -59.39 -37.38 77.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.57 106.32 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -62.61 -16.41 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.699 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.56 -26.55 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.143 0.497 . . . . 0.0 110.079 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -65.51 -52.23 54.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -55.09 -37.27 66.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.768 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.22 -53.79 11.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.728 -179.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.66 -40.28 91.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 93' ' ' PHE . 14.8 p -59.32 -40.6 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 178.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.93 65.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.765 179.099 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.66 -31.13 66.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.862 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -76.5 -26.51 55.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.484 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -54.26 -40.77 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.631 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.73 -28.98 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -73.53 -26.26 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.08 -37.93 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.34 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.77 -25.97 65.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.1 mmp_? -50.68 -51.15 52.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.1 m -66.63 -36.06 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -105.25 54.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -39.89 33.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.384 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.44 -47.63 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.402 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 56.19 105.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.199 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.61 -50.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.774 179.077 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.461 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.4 mmtt -146.15 81.7 1.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.639 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 19.9 mm -84.35 110.3 25.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.03 130.91 6.7 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.858 2.372 . . . . 0.0 111.043 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.4 tp -153.12 159.0 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.537 -179.072 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 23.9 tp -162.32 118.91 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.324 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.7 p -96.11 143.75 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.52 -179.296 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 92' ' ' VAL . 5.9 p -142.91 154.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.137 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -123.36 110.78 1.56 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.149 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.37 -166.36 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.1 mmtt 59.8 13.2 3.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.178 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -60.65 -13.3 13.74 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.144 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.86 -3.45 9.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.69 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.7 mt -120.36 85.06 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.9 -25.88 61.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.0 pt-20 -86.41 -6.71 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 132' ' ' LEU . 79.0 mtp180 -119.51 6.67 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.426 ' HD2' HH11 ' A' ' 136' ' ' ARG . 45.9 ttm180 -75.42 109.42 8.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.507 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -88.81 -30.24 19.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.547 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.43 106.16 37.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.198 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.81 128.56 29.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.014 1.81 . . . . 0.0 111.398 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -50.27 -43.96 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 43.8 mt-10 -60.76 -47.51 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.102 -179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.41 -35.37 75.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.93 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.2 mtt180 -64.9 -46.6 81.04 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -58.81 -50.3 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.483 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.494 ' NZ ' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -66.27 -40.29 90.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 -179.35 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.61 -31.59 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.373 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -32.37 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.892 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.13 -45.85 65.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.494 ' HE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.5 m0 -66.66 -23.26 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.89 25.63 6.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.556 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.44 174.13 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.086 0.47 . . . . 0.0 111.618 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -115.76 131.56 56.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.414 178.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.529 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -95.14 140.65 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 111.418 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.406 HG13 HG23 ' A' ' 126' ' ' VAL . 9.2 p -135.34 154.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.484 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.47 144.31 26.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 164' ' ' ASN . 34.2 p -150.73 165.09 34.54 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.044 0.45 . . . . 0.0 111.493 -179.711 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -139.62 111.94 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.418 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -66.96 -3.03 6.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -93.53 -42.39 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 70.7 p -94.61 -4.93 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.465 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 35.56 38.82 0.05 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.908 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.42 -55.66 5.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.113 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.402 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.8 m-20 -111.62 15.62 20.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.593 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -64.45 -39.41 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.75 0.309 . . . . 0.0 110.987 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.55 -21.74 60.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.65 -32.01 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 165' ' ' VAL . 6.3 m -77.61 -29.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -73.79 -43.53 58.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.779 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -72.06 -46.39 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.493 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 15.4 t70 -57.71 -41.31 81.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.5 tp -71.34 -32.51 68.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.744 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.0 ttm -66.18 -37.44 85.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 88.9 mtm180 -68.45 -47.79 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.915 -179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.7 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.565 0.221 . . . . 0.0 111.521 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 81.2 mt -69.52 -53.49 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.1 ptm180 -71.67 -23.64 61.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.3 m -88.07 -59.82 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.461 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 57.1 tttp -71.14 -54.09 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.179 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 57.1 tttm -61.91 -59.43 5.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.462 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.8 mmt -54.28 -18.67 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.676 0.274 . . . . 0.0 111.612 -179.294 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 34.8 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.254 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.714 0.292 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.03 161.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -129.8 109.97 11.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.03 138.9 39.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 95.3 mttt -105.33 146.01 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 111.258 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.6 114.93 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mm -99.14 107.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.9 tpt -69.96 85.81 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.6 p -99.14 163.6 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.529 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 172.23 -160.59 32.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.7 t -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.29 34.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.215 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.31 51.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.94 14.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.9 58.43 2.01 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.393 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.6 mttp -76.62 -52.07 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 63.3 p -55.2 -30.36 59.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.278 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.7 -52.78 48.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.584 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.98 -24.78 63.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.114 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 28' ' ' SER . 35.5 m -70.28 -45.86 65.49 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.381 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.35 -29.71 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.455 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 13.4 mm100 -66.19 -36.27 82.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.96 -32.41 65.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.841 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.3 ttm -81.95 -49.4 10.33 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -103.34 -13.52 16.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.101 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 15.0 m-20 57.95 32.34 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.115 0.483 . . . . 0.0 110.061 -179.259 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.43 136.97 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.613 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -78.29 116.85 19.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 42' ' ' ASP . 40.9 t -133.68 150.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.53 19.47 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.127 -179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.538 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.9 t70 -61.75 152.18 31.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -121.12 129.52 53.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -124.22 104.86 31.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.38 152.5 53.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 m -110.29 122.74 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.002 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -134.25 -65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -3.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.59 126.4 35.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.757 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -108.17 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -93.03 163.92 13.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -151.31 135.39 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -155.71 147.22 22.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.764 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -99.96 124.79 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.37 140.56 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.96 139.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HH11 ' A' ' 177' ' ' ARG . 65.7 tp -144.21 114.63 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.33 30.97 17.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.21 20.53 57.03 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.677 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.37 113.93 10.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.01 114.28 21.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.79 158.84 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.25 147.77 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.55 126.63 75.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -114.83 114.05 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.4 mt -116.56 144.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.585 ' HG ' ' H ' ' A' ' 69' ' ' THR . 41.3 tp -106.93 134.46 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.549 179.55 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.71 -32.17 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.585 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 62.2 p 51.61 -176.31 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.653 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -175.04 -172.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.318 179.6 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.043 0.449 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.4 -32.29 68.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.253 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.92 -31.06 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.362 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -49.88 -42.9 48.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -61.13 -32.87 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.578 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -84.22 -21.64 31.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -76.81 -35.5 57.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.177 -179.422 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -92.57 6.44 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.89 160.1 13.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 9.1 mm-40 -108.27 -59.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.373 . . . . 0.0 110.644 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -88.46 154.03 24.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.087 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -135.25 132.47 37.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.659 0.266 . . . . 0.0 111.057 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.92 102.27 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.909 179.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.09 121.29 26.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 126' ' ' VAL . 15.8 t -128.45 140.83 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.057 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -149.46 150.77 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.495 178.328 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 45.2 m -87.36 143.82 27.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.045 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.1 pt -75.75 -41.82 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.7 t -69.42 -10.13 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -118.62 96.72 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.98 -17.15 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.33 -26.19 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 19.5 m -70.16 -53.72 16.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.252 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -54.4 -36.13 63.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.17 -53.26 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.267 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.0 70.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.066 0.46 . . . . 0.0 110.81 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.69 ' HB ' HD11 ' A' ' 91' ' ' LEU . 21.7 p -71.86 -30.96 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.95 -41.91 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.917 -179.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HG3' ' HD1' ' A' ' 107' ' ' PHE . 7.4 pt-20 -73.57 -42.67 61.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.581 0.229 . . . . 0.0 111.261 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.465 ' HD1' ' HG3' ' A' ' 106' ' ' GLU . 8.5 m-85 -55.92 -27.86 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.769 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 3.2 tmt_? -53.85 -47.36 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.9 mt-10 -70.77 -38.21 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.86 -28.3 61.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.74 -48.2 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.28 -26.4 66.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 27.6 mmm180 -54.76 -50.23 68.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.285 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -72.74 -12.39 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.272 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -118.11 34.8 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -18.87 62.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.538 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -91.33 -19.49 22.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.7 168.46 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.78 -63.96 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -74.16 108.88 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.716 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -113.36 117.79 44.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.049 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.513 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.0 Cg_endo -68.98 97.14 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.133 1.889 . . . . 0.0 111.843 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 38.6 tp -122.52 156.22 34.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.687 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 24.2 tp -161.28 124.68 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.701 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.5 p -99.77 143.26 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.453 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 92' ' ' VAL . 7.9 p -144.42 156.59 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -119.57 109.59 1.69 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.188 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -80.13 -174.16 4.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.406 ' O ' HD11 ' A' ' 95' ' ' ILE . 10.0 mmmm 58.01 18.74 5.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.4 t -59.95 -17.88 41.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.374 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.02 -7.74 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.5 mt -109.43 79.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.7 -13.99 61.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -93.74 -24.07 17.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -100.7 0.12 38.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.4 ttm180 -66.84 107.95 2.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.32 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -94.74 -27.51 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.18 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.8 103.5 10.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.245 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.481 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 17.7 Cg_endo -59.3 126.57 21.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.04 1.826 . . . . 0.0 111.182 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -49.48 -43.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.497 -179.384 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.89 -49.58 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.271 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 36.1 tt0 -66.74 -31.63 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.543 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.46 66.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.5 mtt180 -72.45 -42.7 64.72 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.265 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -58.38 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.4 OUTLIER -67.71 -47.46 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 -179.578 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.701 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -58.59 -31.85 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.2 -32.71 73.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.83 -48.17 67.17 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.461 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 11.7 m0 -61.46 -25.8 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.639 179.582 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.67 7.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.63 159.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 111.81 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -98.12 136.03 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.797 178.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.8 t80 -100.8 142.99 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 111.484 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.31 155.11 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -93.41 144.74 25.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.2 p -150.34 152.56 34.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.65 -179.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 67.7 m -121.52 111.4 17.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.356 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -11.33 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.634 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -87.67 -48.1 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.454 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 41.3 p -85.71 -6.57 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.18 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.576 0.548 . . . . 0.0 112.07 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.34 -56.22 4.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.873 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -112.41 17.64 19.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.591 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -65.02 -41.88 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.259 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -14.81 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.741 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.3 m -73.57 -26.87 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -70.94 -48.52 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.99 -40.77 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.303 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.01 -43.07 91.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.035 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.91 -32.92 70.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.86 -34.6 77.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.958 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.48 -47.28 76.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 71.9 mt -57.88 -32.42 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.37 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.468 HH11 HD23 ' A' ' 57' ' ' LEU . 57.2 mtp180 -75.12 -52.85 9.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.878 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 95.5 m -87.83 -59.21 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -178.692 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -60.53 -53.31 59.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -178.022 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 0.2 OUTLIER -64.05 -39.94 95.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.63 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 55.6 mtt -81.08 -17.92 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 120.711 0.291 . . . . 0.0 110.827 -179.815 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.26 128.16 34.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -98.19 107.66 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -104.49 143.84 32.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HG3' ' A' ' 87' ' ' GLU . 99.4 mttt -109.55 146.22 35.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HB ' HG12 ' A' ' 66' ' ' ILE . 3.3 t -128.84 116.94 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.326 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.517 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -104.95 106.09 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.803 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.18 103.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.2 p -116.92 151.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.033 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 166.41 82.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.819 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' THR . 24.7 t 60.26 -84.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 111.265 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.43 -48.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.089 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.6 86.08 0.38 Allowed Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.339 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 85.2 t -129.23 -62.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.745 0.307 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 146.21 44.35 0.04 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.376 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 73.0 mttt -56.52 -47.85 78.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.0 0.429 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -55.89 -29.79 60.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.3 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.11 -52.93 63.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.082 -179.081 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.3 mm? -63.22 -25.02 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.471 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 28.6 m -67.56 -43.5 80.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.682 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.05 -47.68 57.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.809 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.629 HE22 ' HA ' ' A' ' 39' ' ' PHE . 47.3 mm-40 -58.79 -34.84 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.891 0.376 . . . . 0.0 111.012 -179.649 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -72.64 -29.23 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.712 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 tpp -82.69 -49.7 9.51 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -115.14 9.42 15.86 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.7 p30 41.72 36.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -146.97 138.41 24.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.719 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.629 ' HA ' HE22 ' A' ' 33' ' ' GLN . 62.5 t80 -84.39 105.86 15.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.65 140.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -89.58 132.16 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -147.67 -31.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.2 t80 58.95 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.86 111.99 65.26 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.92 127.37 17.6 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.402 2.068 . . . . 0.0 112.231 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -117.15 118.27 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.11 -45.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.341 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.69 -10.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.22 127.85 33.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 76.3 p -109.35 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -108.51 160.1 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.577 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -149.33 140.08 22.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 64' ' ' ILE . 40.3 ttpt -158.8 141.01 13.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.835 -179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -96.65 115.63 27.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.79 149.07 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.9 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 67.1 tp -146.25 115.47 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 57.3 30.93 19.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.61 -32.82 5.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.668 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.21 124.02 35.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.6 tt0 -87.15 120.29 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.75 147.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.82 140.22 34.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.9 tt -116.84 139.43 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.4 113.33 13.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.457 HG12 ' HB ' ' A' ' 17' ' ' VAL . 77.3 mt -107.93 145.81 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.06 114.53 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.62 136.95 45.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.682 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -107.68 -20.15 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.383 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.75 -168.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 179.85 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 61.8 mt . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 121.096 0.474 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -65.66 -52.84 48.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -57.39 -31.22 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.316 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 10.8 m120 -52.28 -38.52 58.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.566 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.96 -41.42 95.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.347 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 114' ' ' VAL . 71.2 m-85 -67.95 -33.01 73.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.274 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -79.41 -11.89 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.3 m -98.74 13.85 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.517 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -134.41 -177.04 14.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.898 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 44.4 mt-10 -122.53 -56.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.672 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.94 160.22 22.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.223 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -130.89 139.95 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -127.9 105.1 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.762 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.675 HD11 ' HB ' ' A' ' 104' ' ' THR . 14.4 tp -82.93 124.32 30.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.07 107.79 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.46 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.591 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.3 p90 -114.88 168.55 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.658 179.195 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -104.11 139.41 39.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 26.9 pt -72.36 -39.0 62.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 40.3 p -65.37 -22.93 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.534 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -109.84 95.64 5.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.849 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -62.61 -15.62 52.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.81 -26.85 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.478 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 104' ' ' THR . 80.1 p -73.33 -54.78 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.903 -178.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -51.92 -34.61 42.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.754 -179.339 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.9 p -73.13 -54.21 9.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.94 93.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.201 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 91' ' ' LEU . 28.9 p -52.57 -31.44 36.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.183 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.65 -47.15 79.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.764 -179.248 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.89 -39.82 72.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 111.491 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.6 m-85 -54.62 -23.87 18.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.404 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -47.44 -44.18 24.65 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.114 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 43.5 mt-10 -70.4 -46.71 63.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.597 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.445 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 53.3 mt-30 -56.31 -36.77 69.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.658 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.8 mt -59.26 -46.93 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.76 -27.55 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 60.2 mtp180 -55.32 -50.92 68.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.168 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 83' ' ' PHE . 9.3 m -69.84 -19.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.647 -179.491 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.4 mmtt -117.83 39.41 3.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.58 61.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.391 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -100.79 -1.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.204 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 23.9 mm-40 -106.29 151.91 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.73 -62.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -84.67 121.08 27.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.0 mm -114.98 105.35 53.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.76 128.29 28.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.406 2.071 . . . . 0.0 111.982 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 56.3 tp -148.98 159.06 44.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 90' ' ' LEU . 55.9 tp -166.34 123.63 1.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.86 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.653 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -99.01 141.78 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.439 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 168' ' ' VAL . 21.4 t -144.84 151.89 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.757 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -124.2 110.87 1.5 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.102 179.608 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -82.45 -167.68 1.69 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.424 ' HG2' ' OG1' ' A' ' 96' ' ' THR . 10.4 tppt? 58.77 16.54 4.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 54.5 m -64.97 -8.16 14.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.11 -8.37 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.287 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.9 mt -117.01 80.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.54 ' HG2' HH22 ' A' ' 136' ' ' ARG . 42.3 mt-10 -71.79 -22.92 61.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.58 -9.08 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' A' ' 132' ' ' LEU . 45.9 mtp180 -115.78 1.15 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.31 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.54 HH22 ' HG2' ' A' ' 133' ' ' GLU . 41.7 ttm180 -64.92 113.19 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -87.61 -29.66 21.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.0 t -100.36 105.48 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.48 124.97 17.43 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.905 1.737 . . . . 0.0 111.392 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.52 -43.86 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.198 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.6 mt-10 -57.4 -48.25 79.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.29 -36.28 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.0 -28.83 67.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 99.3 mtt180 -64.19 -48.99 73.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -62.92 -48.72 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.855 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.8 73.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -53.36 -31.62 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -50.89 -49.03 60.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -71.9 -16.82 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.05 14.69 28.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.055 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.25 -176.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.187 0.518 . . . . 0.0 111.393 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.64 132.78 51.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.662 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.653 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.4 t80 -95.23 139.58 31.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.028 0.442 . . . . 0.0 111.358 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.32 152.97 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -92.63 141.07 28.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.467 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 54.8 p -146.12 158.29 43.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.997 0.427 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.3 m -134.42 108.97 8.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.4 -18.41 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.503 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -79.11 -25.54 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -101.37 -21.02 14.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.289 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.596 HH11 ' H ' ' A' ' 39' ' ' PHE . 8.6 mtm180 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.36 -56.17 4.66 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -111.04 19.46 18.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 33' ' ' GLN . 58.1 t -67.3 -49.55 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 0.0 110.954 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.77 -16.08 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.747 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -64.63 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 126' ' ' VAL . 4.0 m -81.3 -26.64 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.585 -179.334 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -73.37 -44.66 58.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -71.82 -32.59 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -67.09 -49.36 65.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.12 -32.5 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 40.6 ttm -59.31 -44.36 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -63.68 -34.14 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.12 -40.01 94.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.305 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.2 mt -66.68 -34.67 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.515 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 181' ' ' MET . 70.9 mtp180 -75.55 -40.45 56.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.711 0.291 . . . . 0.0 111.624 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -87.34 -58.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -67.12 -54.36 22.11 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.398 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 85.3 tttt -61.62 -50.79 71.16 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -66.71 -13.8 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.884 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.85 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.95 106.85 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.008 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -105.25 128.41 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 59.2 mttp -103.65 134.22 47.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 0.0 111.54 -179.392 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -118.43 131.14 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.865 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.53 112.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.511 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 3.6 mmt -61.28 98.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.005 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.6 p -104.57 154.99 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.539 179.439 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 178.98 -161.12 27.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.707 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 55.1 p -62.07 -49.1 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.689 -179.832 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.86 -10.61 0.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.16 85.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 93' ' ' PHE . 29.0 m -135.33 -8.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 179.597 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.1 43.66 2.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.815 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 49.8 mtmt -59.35 -43.54 92.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.531 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.2 p -58.22 -29.1 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.97 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.67 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.766 -179.235 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.697 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -59.93 -25.25 65.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 HG21 ' A' ' 66' ' ' ILE . 22.5 m -74.15 -40.76 62.37 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.689 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.811 -179.328 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.563 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -74.39 -38.43 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -72.94 -37.14 67.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.737 0.303 . . . . 0.0 111.49 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 98.2 mmm -82.59 -50.13 9.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.401 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.25 -22.11 12.72 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 61.01 57.23 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.067 0.461 . . . . 0.0 110.246 -179.127 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -157.56 133.09 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.631 -179.671 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -94.34 106.08 18.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -152.73 150.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.17 106.83 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -163.25 138.91 6.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.54 153.23 50.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.0 125.9 8.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.58 149.18 68.81 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.396 2.064 . . . . 0.0 112.213 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 m -127.26 126.12 42.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.02 -51.96 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.0 -0.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -85.7 130.64 34.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.7 t -127.5 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 39.7 m-85 -107.9 146.49 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.763 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -144.97 138.66 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 111.064 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -151.97 144.83 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 34.0 mtmm -92.66 125.59 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.5 m -143.26 141.27 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.0 p -73.1 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -142.93 105.75 4.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 56.82 30.91 18.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.72 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.14 3.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.66 113.76 26.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.6 tt0 -79.71 115.24 19.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.911 179.765 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.04 141.25 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.606 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 90.2 mt-30 -81.16 138.1 35.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -111.5 130.06 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.583 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.6 t70 -110.93 113.91 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.571 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 31' ' ' THR . 73.0 mt -104.19 122.74 57.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 111.438 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.74 106.07 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.267 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.3 122.05 14.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.5 p -123.92 155.09 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.65 -178.29 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.942 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.036 179.699 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -57.04 -53.79 54.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -55.62 -34.46 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -62.78 -34.72 77.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.242 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -78.46 -34.13 47.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -74.93 -19.6 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -83.01 -24.33 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.124 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 t -73.22 -3.49 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.67 165.28 22.25 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.394 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -103.26 -44.51 5.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.6 166.5 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.449 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.28 141.31 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.45 108.74 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.58 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 7.3 tp -82.65 132.13 35.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.841 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.31 133.83 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HA ' HG11 ' A' ' 25' ' ' VAL . 13.1 p90 -145.29 156.16 43.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.641 178.788 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 t -95.97 145.91 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.555 HG12 ' HB3' ' A' ' 129' ' ' LYS . 10.6 pt -77.17 -36.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -67.88 -13.44 62.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.944 0.402 . . . . 0.0 110.612 179.479 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -121.34 93.5 4.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.56 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -61.7 -16.42 48.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.391 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.96 -26.97 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 22.4 m -69.95 -51.89 28.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.192 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -53.45 -40.09 64.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.225 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -72.69 -53.71 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.035 -179.423 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -35.83 74.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.9 p -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.87 68.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 48.0 mt-10 -68.66 -45.11 72.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.12 -23.85 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.88 179.55 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -48.07 -56.2 8.34 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.453 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.39 -35.6 73.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.444 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.3 mt-30 -57.08 -30.02 63.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.061 0.458 . . . . 0.0 110.644 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.51 -35.85 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.659 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.48 -25.37 65.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -50.32 -51.3 46.57 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -62.72 -35.58 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.59 ' HG2' HG23 ' A' ' 114' ' ' VAL . 66.9 mmtt -109.93 59.7 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -46.12 33.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.688 -179.097 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.64 -34.26 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.032 0.444 . . . . 0.0 110.018 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 54.05 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.582 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -119.85 -54.83 2.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.06 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 179' ' ' LYS . 73.4 mmtt -151.58 86.84 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.18 112.2 55.22 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.216 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.89 127.82 15.03 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.458 2.105 . . . . 0.0 111.821 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -140.27 148.13 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.525 ' H ' HD23 ' A' ' 123' ' ' LEU . 26.3 tp -155.8 112.13 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.788 178.726 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.645 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -90.19 137.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -178.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 168' ' ' VAL . 16.1 t -144.55 144.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.06 124.31 5.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.971 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -91.64 -166.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.701 0.286 . . . . 0.0 110.515 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.555 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.2 tppt? 65.62 8.72 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -57.71 -12.66 3.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.53 -9.14 16.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.397 . . . . 0.0 110.594 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.1 mt -120.9 94.79 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.85 -48.01 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.0 -18.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.784 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.595 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.1 mtt180 -104.32 20.45 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.6 ttm180 -94.36 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.281 179.566 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -81.06 -38.19 27.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.69 111.5 51.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.65 133.38 45.03 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.122 1.881 . . . . 0.0 111.33 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -52.81 -44.69 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.5 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.01 -49.4 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 -179.55 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.19 -34.31 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.408 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.82 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.382 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 93.3 mtt180 -73.8 -41.24 62.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.336 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -61.35 -42.2 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.453 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.512 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.3 tmmm? -74.92 -48.58 23.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -56.35 -37.9 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.433 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.45 -31.27 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.1 -47.26 61.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.512 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 37.5 m0 -64.02 -19.2 65.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.1 13.23 37.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.998 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 123' ' ' LEU . 12.7 m -114.83 -178.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.12 0.486 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -121.18 129.37 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.063 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.645 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.7 t80 -95.46 139.87 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.587 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.6 152.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.422 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.99 148.13 23.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.336 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.2 p -151.72 166.49 31.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 0.0 111.79 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -139.14 112.81 8.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.184 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.05 -4.56 4.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.426 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -96.9 -55.51 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.04 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 59.2 p -76.87 -9.18 58.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? 35.17 39.06 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.964 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.45 -55.52 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.05 15.93 25.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.571 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -66.66 -43.37 90.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -73.07 -15.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.203 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.79 -34.11 71.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.512 -179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -71.84 -30.53 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.777 0.323 . . . . 0.0 111.255 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.15 -44.73 45.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.236 -179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -72.32 -36.75 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.56 -47.29 82.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.88 -32.48 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.53 -46.28 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.2 -34.64 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 23.8 mm-40 -64.3 -30.85 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 99.0 mt -72.64 -51.41 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.292 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.7 ptm180 -67.11 -23.26 65.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.662 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.7 m -88.07 -59.58 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.57 ' HG3' ' HD2' ' A' ' 120' ' ' LYS . 0.5 OUTLIER -71.03 -55.85 7.4 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.494 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.05 -59.94 4.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.668 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -55.14 -19.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.155 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 179.94 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.7 mp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.03 176.8 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.751 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.61 106.13 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -107.59 146.06 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 68.1 mttm -124.76 117.03 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -101.82 116.23 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.629 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' HA3' ' A' ' 86' ' ' GLY . 36.6 mm -85.7 128.58 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.624 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -84.11 93.17 8.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.8 p -114.05 156.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.455 179.593 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.564 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 158.87 86.92 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.155 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.577 ' N ' HG22 ' A' ' 104' ' ' THR . 27.6 t 59.24 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.956 0.407 . . . . 0.0 111.045 179.517 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 174.33 -87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.015 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.13 67.88 3.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.982 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 93' ' ' PHE . 96.5 t -114.21 -46.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.432 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.13 33.83 0.4 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.331 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 46.4 mtmt -55.4 -31.51 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.4 p -68.78 -30.16 68.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.761 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.3 -52.31 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.876 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -57.12 -25.14 58.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.272 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.7 m -74.19 -50.48 19.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.88 -38.55 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.275 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.963 HE22 ' HA ' ' A' ' 39' ' ' PHE . 62.7 mm-40 -64.81 -40.46 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.378 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.87 -30.78 64.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 31' ' ' THR . 96.6 mmm -80.3 -49.27 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.02 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.64 -7.87 14.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.192 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 27.4 t70 56.03 45.17 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 109.908 -179.405 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' HH11 ' A' ' 162' ' ' ARG . 9.5 tp10 -154.37 131.59 11.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.03 -179.348 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.963 ' HA ' HE22 ' A' ' 33' ' ' GLN . 71.0 t80 -85.86 105.86 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.8 p -118.05 142.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.7 -36.88 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.1 t70 -64.12 137.46 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.83 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -121.39 162.3 20.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.73 100.53 19.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.96 139.56 47.56 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.411 2.074 . . . . 0.0 112.267 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' H ' ' A' ' 68' ' ' ASP . 86.3 m -86.4 145.15 26.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -135.39 -41.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.45 -3.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.71 137.47 33.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 m -109.31 156.13 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -110.58 155.7 21.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -148.89 150.89 33.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -166.06 154.17 10.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -115.77 127.79 55.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.22 159.8 28.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.41 141.62 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' SD ' ' A' ' 173' ' ' MET . 56.0 tp -140.55 99.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.681 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.91 30.87 16.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.35 -36.37 4.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -79.57 128.36 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.022 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -100.61 114.33 27.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.993 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.38 157.37 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.005 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.12 141.71 28.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 tt -117.69 144.04 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.729 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 9.2 t70 -135.99 121.8 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.027 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -106.81 126.31 62.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.546 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.0 tm? -128.79 135.46 49.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.546 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.4 t70 65.81 121.69 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.308 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 28' ' ' SER . 75.1 p -135.22 14.05 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.31 164.95 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.923 0.392 . . . . 0.0 111.394 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.267 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.565 179.915 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.0 0.428 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -59.77 -36.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.174 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.39 -33.07 71.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -52.53 -34.47 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.35 -46.68 39.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.363 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 68.1 m-85 -62.87 -24.35 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.73 -39.24 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.0 p -73.15 -1.17 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.032 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.55 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -112.09 175.12 16.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.681 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -119.78 -50.5 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.01 169.95 23.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.976 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -139.84 138.64 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.057 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 168' ' ' VAL . 4.2 tp -130.2 103.93 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.649 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.2 tm? -85.79 125.85 33.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.44 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.49 135.34 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.799 0.333 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.536 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -138.09 150.8 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.722 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 m -89.06 134.66 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.491 HD13 ' HE ' ' A' ' 136' ' ' ARG . 42.4 pt -67.7 -31.85 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -25.43 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.68 99.56 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.034 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -62.79 -16.46 58.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.69 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.59 -27.76 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 104' ' ' THR . 89.6 p -70.57 -53.72 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.424 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.74 -39.32 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.9 p -73.05 -53.84 10.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.432 -179.254 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.36 80.59 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.332 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.649 ' HB ' HD21 ' A' ' 91' ' ' LEU . 19.6 p -55.18 -31.37 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.171 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.239 -179.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.0 -40.64 98.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.751 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.99 -25.46 66.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -50.7 -44.33 57.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.929 0.395 . . . . 0.0 110.672 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 40.7 mt-10 -70.84 -42.04 70.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.068 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -56.28 -36.77 68.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.131 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.4 mt -59.0 -47.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.0 -29.97 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 56.2 mtp180 -60.95 -51.03 70.97 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 111.673 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 5.3 m -66.98 -13.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.557 -179.661 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -124.18 28.69 6.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.759 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.58 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.41 -25.75 38.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.731 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.34 -178.26 7.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -126.0 -59.98 1.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -81.98 112.15 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.63 104.32 54.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.75 131.14 24.99 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.319 2.013 . . . . 0.0 112.157 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.0 tp -143.17 158.8 43.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -166.42 120.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.066 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -100.98 143.68 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.978 -178.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.503 HG21 ' HB ' ' A' ' 168' ' ' VAL . 87.7 t -143.47 146.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.97 130.08 9.85 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.245 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -94.57 -174.32 3.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.689 0.28 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.8 mmtp 57.24 16.98 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.395 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 68.2 m -59.06 -14.69 10.56 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.312 -179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 158' ' ' SER . 5.9 p-10 -73.44 3.92 5.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.974 0.416 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.3 mt -128.08 54.56 1.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.748 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.0 -11.26 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.57 -21.1 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.275 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -128.25 18.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.694 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.491 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.5 ttm180 -62.02 108.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -74.73 -33.54 62.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.684 -179.295 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 63.0 t -96.89 106.95 34.24 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.383 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.76 132.63 52.91 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.293 1.995 . . . . 0.0 111.791 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -57.38 -39.82 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -64.29 -40.32 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.19 -28.2 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.16 -52.87 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.786 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 74.5 mtt180 -54.6 -45.68 73.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.33 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -56.93 -31.55 65.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.99 0.424 . . . . 0.0 110.498 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -75.03 -48.37 24.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 179.614 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -54.42 -43.35 71.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.475 -179.341 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.28 -32.62 56.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.266 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.4 -47.94 62.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -72.63 -21.4 61.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.73 26.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.963 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.442 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.3 m -112.7 173.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.117 0.484 . . . . 0.0 111.198 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -116.46 130.31 56.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.665 178.884 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.9 t80 -94.84 135.55 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.025 0.441 . . . . 0.0 111.177 -179.39 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.27 146.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -89.66 133.66 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.195 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 164' ' ' ASN . 33.3 p -143.22 148.32 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.002 0.43 . . . . 0.0 111.45 -179.303 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 131' ' ' ASP . 29.7 p -123.5 107.82 11.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.775 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.58 -13.74 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -70.19 -40.1 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.344 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 69.8 p -99.85 -13.01 19.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.579 HH11 ' HA ' ' A' ' 38' ' ' GLU . 5.8 mtm180 50.56 34.26 9.29 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.52 -55.8 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.463 ' HB3' HG22 ' A' ' 157' ' ' THR . 4.5 m-20 -110.95 14.02 22.06 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.079 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.6 p -66.01 -41.65 90.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.383 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.34 -19.93 60.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.614 178.865 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.36 -36.66 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.214 -178.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 165' ' ' VAL . 13.0 p -71.2 -34.12 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.553 -179.088 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -70.72 -41.87 71.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.53 -36.76 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.462 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.51 -53.89 12.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.174 -179.523 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.9 tp -58.77 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.23 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.439 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.8 ttm -57.32 -47.87 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.308 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.22 -37.32 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.4 -39.3 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.713 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 57.4 mt -62.7 -35.42 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 43.6 mtm180 -75.84 -47.54 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 182' ' ' SER . 68.6 m -87.44 -59.2 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.9 -54.06 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -60.28 -56.3 23.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.734 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.4 mmt -62.16 -18.64 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -95.25 160.39 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 tp -124.62 107.68 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -108.55 145.84 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.9 mttt -118.89 137.17 53.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.35 . . . . 0.0 111.335 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.28 132.92 67.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.107 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -113.54 111.57 36.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 3.5 mmt -63.8 97.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 90' ' ' LEU . 9.9 p -101.28 157.17 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 175.5 -164.41 34.74 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.387 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 104' ' ' THR . 14.8 t -59.58 -32.57 70.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.788 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.87 -17.41 1.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.808 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 26' ' ' GLY . . . -148.47 -109.95 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 179.711 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.2 t 70.04 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.459 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 109.3 37.67 1.92 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.646 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 8.9 ptpp? -57.32 -30.2 64.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.3 p -69.45 -29.46 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.974 179.656 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.16 -52.57 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.737 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.1 mm? -60.53 -25.12 65.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.5 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 HG21 ' A' ' 66' ' ' ILE . 44.8 m -70.49 -39.79 73.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.362 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.56 -44.68 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.608 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 9.8 mm100 -58.26 -38.12 76.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 111.281 -179.346 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -73.13 -25.89 61.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.602 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.3 tpp -82.45 -50.12 9.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.538 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -123.09 -7.5 8.31 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.2 t70 59.48 59.86 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.086 0.47 . . . . 0.0 110.356 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HH11 ' A' ' 162' ' ' ARG . 34.6 tt0 -162.5 127.38 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.978 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -90.91 111.83 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.47 149.73 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.98 96.14 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -161.53 126.4 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -137.9 148.94 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -141.7 130.52 12.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.01 147.88 71.96 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.7 m -130.08 127.75 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -119.14 -34.01 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.1 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.407 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.98 134.95 35.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -127.67 174.34 9.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -113.7 155.79 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -140.45 152.42 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -164.51 170.25 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.659 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -119.15 133.3 55.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.308 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.56 141.33 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.939 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.3 p -92.34 137.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.005 0.431 . . . . 0.0 111.44 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.33 103.08 8.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 43.54 31.17 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.802 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.03 -48.11 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.054 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -87.59 117.01 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 111.502 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.1 tt0 -86.13 122.98 30.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 13' ' ' ALA . 33.6 m -130.14 139.51 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -83.96 161.63 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.219 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.512 HD12 ' HE2' ' A' ' 173' ' ' MET . 17.8 tt -139.22 144.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.567 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.1 t70 -120.52 118.91 31.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 31' ' ' THR . 47.9 mt -103.6 124.05 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.094 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 67' ' ' LEU . 2.6 tm? -99.86 118.9 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.2 110.0 14.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.3 p -101.13 178.76 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.64 -163.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.166 179.479 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -64.15 -34.19 77.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.282 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.0 -30.83 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.981 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.2 -38.15 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.528 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.53 -46.41 76.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -179.36 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.595 ' HB2' HG11 ' A' ' 114' ' ' VAL . 37.9 m-85 -61.98 -38.27 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -74.31 -11.02 60.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -94.08 9.46 37.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 -175.77 14.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.627 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -122.26 -32.92 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.7 169.68 13.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.46 141.43 47.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' C ' HG12 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -130.69 105.78 8.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.632 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 104' ' ' THR . 8.4 tp -81.76 128.42 33.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.335 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 126' ' ' VAL . 35.2 t -133.86 128.34 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.031 -179.361 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.0 p90 -144.32 153.41 41.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.593 178.666 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 t -94.6 150.0 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.387 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 24.4 pt -74.68 -37.46 43.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 95' ' ' ILE . 61.9 p -66.84 -26.46 66.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -104.53 89.52 3.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.74 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.94 -16.64 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.46 -26.41 60.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' THR . 19.9 m -70.1 -53.52 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.565 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -51.64 -38.97 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 0.0 111.736 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.6 p -72.73 -53.85 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.289 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.07 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.551 -179.278 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.5 p -55.18 -31.5 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.92 78.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -36.27 79.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.703 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.1 m-85 -70.05 -25.72 63.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -48.98 -54.56 15.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.86 -34.55 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -65.19 -24.54 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG22 HG21 ' A' ' 121' ' ' ILE . 98.2 mt -66.06 -47.28 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.242 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.04 -27.36 66.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.9 mmp_? -63.07 -49.59 73.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.3 m -69.28 -12.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.454 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 114' ' ' VAL . 72.3 mmtt -123.61 43.27 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.19 -15.26 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.276 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.96 -25.2 16.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.03 163.41 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -115.55 -17.0 11.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -143.19 105.34 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.46 HG21 HG22 ' A' ' 111' ' ' ILE . 4.1 mp -99.26 113.65 64.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.463 ' HG3' HG12 ' A' ' 176' ' ' ILE . 46.2 Cg_endo -67.74 123.44 10.74 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.29 1.993 . . . . 0.0 112.155 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -128.01 157.0 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 tp -159.46 124.36 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 179.553 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.595 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.5 p -104.59 143.94 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.956 0.408 . . . . 0.0 111.756 -178.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 92' ' ' VAL . 6.5 p -143.52 154.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.083 179.494 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -125.05 105.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.84 179.443 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.59 -171.14 3.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.693 0.282 . . . . 0.0 110.402 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 62.69 15.46 8.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.9 m -63.82 -8.49 10.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.61 -9.75 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' HD2' ' A' ' 135' ' ' ARG . 24.1 mt -116.89 87.67 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.968 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.15 -28.16 62.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.93 -6.47 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.334 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -117.92 14.92 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.25 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.0 ttm180 -82.66 110.47 17.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.51 -34.05 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.97 108.27 57.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.75 135.9 69.32 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.141 1.894 . . . . 0.0 111.318 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -50.06 -42.71 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.396 -179.456 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.35 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.357 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.67 -36.42 71.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.0 mtt180 -66.62 -44.11 82.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.111 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -58.8 -39.45 81.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.536 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.418 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -76.57 -42.24 43.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.016 -179.5 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -59.95 -48.64 80.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.999 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -53.9 -32.3 52.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.888 -179.176 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -52.23 -38.18 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 111.179 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.418 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 20.3 m0 -78.74 -18.44 54.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.99 21.44 11.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.123 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.47 177.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.028 0.442 . . . . 0.0 111.456 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -120.92 130.09 53.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.788 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.595 ' HD1' HG22 ' A' ' 125' ' ' VAL . 25.4 t80 -95.25 141.19 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.326 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.35 154.05 29.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.222 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -89.93 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.2 p -151.23 170.03 20.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.487 -179.612 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -148.64 113.95 5.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.671 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.33 -3.11 12.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -91.95 -37.77 12.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 80.7 p -94.87 -19.04 20.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.461 HH11 ' HA ' ' A' ' 38' ' ' GLU . 7.6 mtm180 50.56 32.13 6.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.349 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.97 -56.26 4.63 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.81 21.75 15.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 168' ' ' VAL . 2.9 p -66.52 -43.14 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.76 -14.71 61.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -58.94 -39.21 80.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.673 -179.237 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 35.6 m -75.63 -26.83 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.207 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -73.95 -47.38 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.217 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.59 -44.91 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.308 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.78 -52.37 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.014 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.93 -34.67 73.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.512 ' HE2' HD12 ' A' ' 64' ' ' ILE . 50.4 ttm -58.61 -47.24 84.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.5 -34.03 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.21 -36.28 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.463 HG12 ' HG3' ' A' ' 122' ' ' PRO . 67.6 mt -69.71 -52.6 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 181' ' ' MET . 52.2 mtp180 -55.86 -38.03 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.015 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 81.5 m -87.09 -58.57 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.523 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -69.7 -53.5 18.23 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.2 tttt -63.36 -35.17 79.5 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.205 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.447 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -81.98 -12.72 58.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.228 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 120.702 0.287 . . . . 0.0 111.014 -179.766 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.55 129.88 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.4 108.56 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.7 114.58 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -93.89 141.17 28.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.13 139.22 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 19.2 mm -113.19 130.8 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -179.73 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.517 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -82.49 96.23 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.681 179.479 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.6 p -101.13 157.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 179.43 -167.01 36.75 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.724 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 70.8 p -61.08 -46.42 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.07 18.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.479 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.23 65.5 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.539 HG13 ' OG ' ' A' ' 94' ' ' SER . 13.6 t -126.14 -40.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.699 0.285 . . . . 0.0 111.297 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.32 38.16 0.23 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 7.7 mtmp? -59.8 -36.03 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -71.82 -30.09 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.203 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.33 -52.89 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.895 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.319 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.552 HG23 HG21 ' A' ' 66' ' ' ILE . 97.2 m -68.53 -46.44 69.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.277 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.04 -32.44 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.7 mm100 -61.82 -34.96 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -72.99 -27.87 62.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.553 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 tpp -82.6 -49.48 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -108.23 -10.45 15.38 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -177.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.37 28.2 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -143.28 152.09 41.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.999 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -94.64 120.91 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 42' ' ' ASP . 20.1 t -126.89 148.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.011 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.6 9.1 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' H ' HG12 ' A' ' 40' ' ' VAL . 7.9 m-20 -101.66 148.94 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -141.71 165.59 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.79 128.02 15.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.87 156.97 21.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.334 2.023 . . . . 0.0 112.154 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.479 HG21 ' H ' ' A' ' 69' ' ' THR . 91.7 m -131.47 114.27 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -117.01 -40.75 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.26 0.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 132.96 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -122.2 172.8 8.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -115.5 154.56 29.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -135.73 137.79 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.41 . . . . 0.0 110.934 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -147.74 154.37 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 36.5 mtmm -118.68 120.84 38.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.73 147.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.003 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -81.66 143.82 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 61.2 tp -135.34 104.56 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.22 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 53.89 31.08 12.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.17 -42.13 2.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.602 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -91.25 118.15 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.8 tt0 -85.63 131.43 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.66 148.45 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.032 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 92.7 mt-30 -81.26 138.64 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -118.89 137.94 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.366 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.2 123.37 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.678 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.552 HG21 HG23 ' A' ' 31' ' ' THR . 58.3 mt -110.2 141.99 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.5 OUTLIER -129.28 114.28 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.126 179.705 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -54.41 -53.38 54.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.994 -179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.479 ' H ' HG21 ' A' ' 46' ' ' THR . 23.1 m 75.03 -38.6 0.38 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.916 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.89 -174.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.059 179.512 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -53.78 -48.39 69.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.91 -31.76 60.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.92 -44.97 94.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.78 -49.95 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 -179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -62.91 -23.25 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -84.24 -28.77 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -55.51 -38.47 69.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -110.58 159.0 14.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.657 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -96.75 -14.48 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.22 158.05 15.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.683 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -136.14 134.31 38.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 124' ' ' LEU . 18.7 mt -129.12 102.18 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -84.11 123.17 29.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.567 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 30' ' ' LEU . 42.2 t -129.03 137.54 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' HA ' HG21 ' A' ' 25' ' ' VAL . 8.4 p90 -146.65 152.69 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.391 178.909 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.539 ' OG ' HG13 ' A' ' 25' ' ' VAL . 73.7 m -87.55 135.19 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.303 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.12 -36.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.706 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.0 t -71.18 -22.94 61.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 96' ' ' THR . 46.6 mt-10 -108.3 93.05 4.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.36 -16.23 53.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.071 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.13 -26.89 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.362 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -70.71 -51.98 23.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.337 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.53 -39.21 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.4 -53.64 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.891 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.09 -36.13 76.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.607 ' HB ' HD11 ' A' ' 91' ' ' LEU . 11.8 p -60.62 -31.71 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.15 0.5 . . . . 0.0 110.462 179.385 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.2 79.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.08 -42.9 99.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.61 -27.63 69.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HA ' HD12 ' A' ' 111' ' ' ILE . 4.3 tmt_? -55.24 -43.19 74.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.66 -30.12 66.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.023 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.81 -25.95 62.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 108' ' ' ARG . 72.4 mt -58.2 -38.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.326 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.48 -26.15 65.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -51.7 -51.22 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -62.91 -38.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.029 0.443 . . . . 0.0 110.465 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 114' ' ' VAL . 25.4 mmtp -99.76 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.42 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.91 -37.6 6.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.504 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.13 -44.35 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.123 0.487 . . . . 0.0 109.794 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 121' ' ' ILE . 30.6 tt0 60.04 111.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.068 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.504 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 12.0 m-20 -149.58 -68.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.691 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.504 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 2.9 mptp? -136.92 82.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.491 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 118' ' ' GLU . 4.7 mp -86.08 114.4 57.02 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.073 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.49 119.5 6.54 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.355 2.037 . . . . 0.0 111.811 179.347 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.2 tp -143.23 161.38 38.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' A' ' 90' ' ' LEU . 59.9 tp -168.85 127.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.622 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -98.7 142.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.086 0.47 . . . . 0.0 111.603 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 168' ' ' VAL . 19.2 t -143.87 139.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.702 179.512 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.74 129.27 9.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.286 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.9 -166.65 1.41 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 132' ' ' LEU . 74.5 mmtt 59.72 21.51 10.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -57.62 -30.69 65.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.83 -21.59 43.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.04 0.448 . . . . 0.0 110.403 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 135' ' ' ARG . 43.1 mt -93.84 66.38 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.59 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.8 -13.97 62.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.83 -12.63 30.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.535 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.1 mtt180 -107.48 -6.68 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm180 -60.91 108.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.689 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.57 -17.73 15.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.82 100.64 13.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 13.4 Cg_endo -57.66 139.29 89.76 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.198 1.932 . . . . 0.0 111.696 179.553 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 89.0 t -53.93 -47.89 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.617 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.48 -42.02 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.703 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.402 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 39.1 tt0 -74.96 -31.21 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.695 0.283 . . . . 0.0 111.325 -179.586 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.35 -31.06 60.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.452 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 42.5 mtt180 -77.57 -33.68 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -66.23 -53.6 35.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.262 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.61 99.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.03 -36.33 77.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.32 -32.74 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.0 -41.52 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -69.26 -29.2 67.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.8 32.25 2.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.8 177.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.654 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -120.82 137.8 54.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.95 179.197 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.622 ' HD1' HG22 ' A' ' 125' ' ' VAL . 42.4 t80 -102.52 138.68 39.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.921 0.391 . . . . 0.0 111.363 -179.494 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.67 154.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.56 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.1 135.73 33.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.235 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -149.48 162.37 40.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 111.542 -179.414 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -133.08 110.44 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.497 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.4 -3.55 6.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.66 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.27 -43.14 12.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.8 p -98.84 0.43 44.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.332 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.0 ppt_? 33.5 47.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.195 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.2 -55.81 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.979 -179.722 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.7 m-20 -112.04 6.89 19.55 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.439 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 168' ' ' VAL . 14.7 p -57.63 -41.31 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.86 -14.91 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -31.28 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.881 -179.05 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 126' ' ' VAL . 3.9 m -71.13 -28.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.481 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -74.34 -43.39 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.79 -34.3 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.87 -45.58 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 175' ' ' GLU . 44.9 tp -72.77 -42.39 64.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 23.5 ttp -54.22 -36.44 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.73 -36.17 75.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.557 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -78.27 -25.15 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.37 -179.412 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.7 mt -65.1 -50.33 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.27 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 9.5 ptm180 -73.98 -24.05 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.6 m -88.35 -60.19 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -71.11 -54.42 11.17 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.9 tmtm? -61.54 -51.88 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.131 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.492 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -64.03 -13.92 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.498 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.284 . . . . 0.0 111.092 -179.866 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.49 174.3 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -134.86 123.21 23.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB3' HD13 ' A' ' 176' ' ' ILE . 34.5 m-70 -116.69 112.53 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -83.74 145.76 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 66' ' ' ILE . 1.3 t -127.31 120.19 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.36 -179.48 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.8 mm -99.07 108.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.963 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.586 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.1 tpt -70.98 92.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.0 p -104.32 159.49 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.323 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.92 -164.12 31.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.549 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.518 ' HB3' HG23 ' A' ' 25' ' ' VAL . 17.8 t -59.68 -31.29 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.072 -179.779 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.88 22.75 5.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.348 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.39 39.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.23 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 22' ' ' SER . 75.4 t -100.73 -45.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.333 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.63 38.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.181 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.9 mttt -53.45 -36.27 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -67.71 -30.41 69.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -52.07 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.019 -178.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.56 -24.55 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.398 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.1 m -72.43 -48.12 43.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.773 -179.471 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.3 -33.5 69.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.81 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.2 mm100 -65.35 -32.69 74.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.983 0.42 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -73.49 -40.8 63.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.933 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.446 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 42.5 ttm -82.31 -49.75 9.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -99.86 -26.51 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.132 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.2 m-20 58.88 40.57 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.094 0.473 . . . . 0.0 110.021 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -144.79 128.3 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.957 -179.388 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -83.73 105.9 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.63 139.41 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -74.11 98.61 3.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.54 178.03 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -164.44 151.03 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.766 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.49 99.61 4.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.22 149.82 11.74 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.654 2.236 . . . . 0.0 112.686 -179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 68' ' ' ASP . 84.9 m -92.34 123.21 35.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.62 -69.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.034 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.74 6.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.295 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.56 136.44 32.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -114.57 157.47 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.763 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -101.47 152.68 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -144.06 132.84 22.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -149.29 144.57 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -95.8 116.3 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.59 153.88 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.5 p -103.54 145.04 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.267 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 174' ' ' ARG . 53.4 tp -150.2 123.62 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.2 30.89 17.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.587 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -29.3 5.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.445 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.16 115.75 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -74.23 117.09 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.46 143.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.39 159.11 24.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.185 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -130.58 137.86 55.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 13.7 t70 -137.53 113.56 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.159 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' A' ' 17' ' ' VAL . 82.7 mt -101.04 129.61 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -133.84 137.88 45.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 16.1 t70 68.42 129.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.278 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 9.8 t -154.38 -8.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 152.62 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.431 179.949 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.709 0.29 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -52.84 -36.09 58.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.42 -39.38 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.776 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -53.28 -35.32 59.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.206 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -67.52 -20.77 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.12 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -70.53 0.09 7.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.604 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -114.6 167.65 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.413 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -119.67 -49.11 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.56 159.35 28.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.404 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.72 129.0 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.4 mt -123.41 103.23 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -82.87 128.4 34.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.225 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 126' ' ' VAL . 61.1 t -131.16 140.36 48.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.995 -179.556 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.8 p90 -151.46 145.09 24.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.453 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' HG13 ' A' ' 25' ' ' VAL . 36.9 m -82.71 144.83 29.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.011 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 43.2 pt -76.02 -35.94 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.689 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 95' ' ' ILE . 34.9 p -68.92 -12.23 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.829 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.48 98.39 6.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.98 -18.08 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.42 -26.5 60.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.142 0.496 . . . . 0.0 110.435 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.3 m -67.96 -54.05 21.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.858 -179.037 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -59.34 -35.26 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.549 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.5 p -71.84 -53.42 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.776 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.88 85.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.9 p -57.96 -32.55 67.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.6 69.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.92 -45.48 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.609 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -59.48 -24.78 63.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -49.2 -48.39 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -36.17 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.28 -27.32 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.7 -43.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.446 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.58 -25.82 65.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.914 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -50.72 -50.99 54.01 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.6 m -69.53 -47.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.89 -179.292 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.7 mmtt -87.38 33.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.788 0.328 . . . . 0.0 111.072 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.83 57.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -96.62 -16.76 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -93.96 175.3 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.52 -48.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.4 mmtt -82.78 120.57 25.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.5 mm -123.81 104.12 33.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 36.7 Cg_endo -65.38 105.94 0.79 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.166 1.911 . . . . 0.0 111.872 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 54.6 tp -127.64 159.86 33.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 -179.706 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 55.5 tp -167.92 124.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 154' ' ' TYR . 1.9 p -92.45 143.0 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 0.0 111.176 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.575 HG13 HG11 ' A' ' 168' ' ' VAL . 15.9 t -136.13 114.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.73 8.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.104 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -102.08 -176.31 3.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.704 0.288 . . . . 0.0 110.392 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.403 ' HZ3' HD12 ' A' ' 132' ' ' LEU . 3.2 mmmp? 55.54 21.21 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 63.6 m -66.26 -6.19 13.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.77 1.21 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.498 179.403 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.403 HD12 ' HZ3' ' A' ' 129' ' ' LYS . 50.1 mt -128.1 51.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.61 -12.48 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.35 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.97 -31.66 56.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.03 24.54 10.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.341 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -59.89 109.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 60.3 mt-30 -72.75 -31.46 64.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.74 99.54 22.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 52.5 Cg_exo -54.66 131.96 48.79 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.163 1.909 . . . . 0.0 111.462 179.218 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.1 p -49.47 -46.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.486 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.6 mt-10 -54.41 -44.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.386 -179.363 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.78 -39.68 91.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.84 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 57.6 mtm180 -73.08 -37.73 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.685 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 40.8 t -66.11 -40.4 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.484 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -74.96 -46.91 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.043 -179.679 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -61.77 -42.43 98.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.689 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.63 -31.94 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 145' ' ' SER . 9.5 mm-40 -52.84 -45.47 67.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.553 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.456 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 12.4 m0 -66.91 -16.23 64.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 96.49 30.74 7.51 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.04 -176.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.379 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.63 128.6 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.5 ' HA ' HG13 ' A' ' 125' ' ' VAL . 26.2 t80 -96.09 134.84 38.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.16 153.32 37.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.41 138.49 31.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.6 p -145.27 152.84 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.576 -179.354 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.3 m -122.22 110.19 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -0.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.775 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.69 -49.83 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.755 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.4 p -87.35 -3.74 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.402 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.536 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 4.3 ppt_? 35.13 44.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.906 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.6 -55.84 5.02 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.221 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.55 15.78 22.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.2 p -68.55 -44.77 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 10.5 m-20 -73.81 -15.43 61.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.337 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -75.17 -32.01 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.575 HG11 HG13 ' A' ' 126' ' ' VAL . 33.2 m -79.04 -26.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.207 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -71.43 -47.67 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.781 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.86 -29.7 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.38 -47.78 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.3 tp -71.69 -32.72 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.443 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.3 ttm -55.02 -39.09 68.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.449 ' HG2' HD21 ' A' ' 57' ' ' LEU . 85.2 mtm180 -68.7 -37.24 79.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.17 -27.15 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 173' ' ' MET . 95.0 mt -68.51 -54.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.819 0.342 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.431 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 13.6 ptm180 -70.15 -27.7 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.7 m -89.42 -60.54 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 80.0 tttt -71.17 -54.45 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -59.07 -45.64 90.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.623 0.249 . . . . 0.0 111.669 -178.516 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.431 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 43.3 mtt -64.32 -12.2 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.173 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.837 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.14 151.92 19.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -179.743 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -124.36 110.0 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.739 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.64 138.08 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.9 mttp -119.38 123.12 43.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -104.73 138.3 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 179.599 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -101.91 113.98 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.071 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 tpt -74.96 86.16 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.7 p -95.27 160.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 111.056 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.21 -171.44 43.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.374 -179.833 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 t -55.05 -44.22 74.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.753 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.06 -15.35 1.52 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.253 -179.805 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.34 68.58 0.13 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.4 m -117.93 -14.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 0.0 111.371 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.6 41.7 0.48 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.82 -52.38 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.81 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.3 p -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.297 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.24 -52.97 56.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 HG11 ' A' ' 92' ' ' VAL . 6.6 mt -61.19 -25.06 66.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.038 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.0 m -70.28 -44.2 68.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.263 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.37 -39.6 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.524 HE21 ' HB3' ' A' ' 162' ' ' ARG . 13.9 mm100 -56.27 -38.33 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -72.72 -25.41 61.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.293 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.1 tpp -81.88 -49.63 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.311 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.0 -7.68 10.35 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -177.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.5 t70 59.84 33.42 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 110.406 -179.689 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.46 131.95 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.84 110.13 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 42' ' ' ASP . 44.9 t -108.73 139.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.23 -32.24 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.8 t70 -62.45 106.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -80.89 173.67 12.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -146.33 103.73 4.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 154.79 19.44 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.362 2.041 . . . . 0.0 112.041 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 69' ' ' THR . 44.9 m -94.87 137.45 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.278 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.8 -61.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.509 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.02 -22.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -74.5 132.83 42.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.771 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.428 ' OG ' ' HG ' ' A' ' 67' ' ' LEU . 17.1 m -123.68 174.93 7.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 50.1 m-85 -98.47 146.92 25.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -149.92 137.78 20.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -156.23 172.84 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -105.98 124.73 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.89 149.68 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -95.53 134.77 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.441 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.6 tp -135.67 113.7 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.549 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 54.83 31.32 15.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.16 -32.48 6.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.36 113.76 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.3 tt0 -80.13 124.22 28.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.484 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.36 147.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.87 136.27 34.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -112.66 134.99 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -119.08 120.96 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mt -119.56 128.3 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.375 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HG ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -100.43 128.62 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 179.511 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.12 -50.04 49.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.538 ' HA ' HG21 ' A' ' 46' ' ' THR . 25.4 m 62.6 117.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.632 179.686 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.97 -170.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.366 179.853 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -64.26 -30.77 71.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.74 -31.3 71.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.644 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -51.03 -34.73 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.41 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -75.76 -35.37 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.817 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -83.21 -15.86 48.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -80.15 -40.09 28.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.702 0.287 . . . . 0.0 111.235 -179.433 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -90.6 14.01 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.32 158.98 13.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.824 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -107.85 -60.48 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 110.8 179.862 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -87.81 163.16 33.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.48 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -142.46 124.93 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 124' ' ' LEU . 28.6 mt -118.41 102.55 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 179.567 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.3 tp -83.03 123.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.398 179.641 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 30' ' ' LEU . 38.9 t -128.29 137.18 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 111.892 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HB3' HG21 ' A' ' 104' ' ' THR . 31.7 p90 -144.31 140.55 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.153 178.806 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 29.4 m -71.0 128.59 36.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 1.5 pp -63.26 -37.07 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.438 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 97' ' ' GLU . 8.0 t -74.21 -16.63 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 43.0 mt-10 -111.81 97.53 6.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.849 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.09 -16.29 59.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.41 -26.93 61.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.3 m -70.21 -45.78 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.099 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.32 -38.1 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -71.83 -53.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.51 -179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.39 80.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.9 p -56.5 -37.68 70.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.9 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.15 66.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.482 -179.5 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.37 -45.57 75.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.7 -26.09 68.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 44.7 mt-10 -70.53 -39.72 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -57.13 -29.88 63.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.18 -48.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.36 -26.53 66.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 30.7 mmm180 -56.01 -50.29 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.8 m -72.94 -24.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.618 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.556 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.71 40.21 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.33 -9.8 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -98.16 -26.64 14.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.34 151.85 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -108.6 -32.91 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.5 96.51 10.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.652 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -108.89 104.7 55.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.515 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 37.5 Cg_endo -65.59 107.2 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.454 2.103 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -123.83 152.5 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.126 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 123' ' ' LEU . 53.9 tp -162.09 117.13 1.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.7 p -91.94 141.11 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.177 0.513 . . . . 0.0 111.576 -179.032 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 168' ' ' VAL . 16.9 t -132.15 148.47 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.85 129.08 9.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.27 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -107.79 -178.34 3.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.43 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 30.1 mmmt 57.94 18.21 4.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.414 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.0 t -60.42 -15.0 22.16 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.07 1.64 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 49.7 mt -121.5 67.66 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.86 -24.19 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.7 pt-20 -80.14 -24.54 40.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 88.5 mtt180 -101.32 -0.59 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.8 ttm105 -66.75 109.06 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.35 -26.01 18.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 93.9 t -102.16 103.72 32.08 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 23.3 Cg_endo -61.81 130.72 32.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.127 1.885 . . . . 0.0 111.36 179.125 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -48.71 -43.7 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.632 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.3 pt-20 -54.51 -37.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.5 tt0 -75.37 -44.41 45.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.726 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.55 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtt180 -70.87 -32.71 69.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.78 -51.45 55.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.005 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.36 84.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.3 98.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.436 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.62 -32.46 58.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.032 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.38 -48.05 68.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.795 179.571 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.88 -18.67 65.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.14 22.4 9.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.594 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.473 HG11 ' HB3' ' A' ' 123' ' ' LEU . 16.9 m -123.03 176.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.301 0.572 . . . . 0.0 112.253 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -119.94 134.16 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.738 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HD1' HG22 ' A' ' 125' ' ' VAL . 30.0 t80 -101.51 144.49 30.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 111.544 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.4 151.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.459 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.06 141.45 28.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 164' ' ' ASN . 25.9 p -152.38 158.43 42.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 111.599 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.0 m -122.43 111.19 16.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.28 -5.76 15.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.341 -179.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -89.31 -43.61 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.731 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.9 p -92.31 -4.32 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.524 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 34.7 39.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.638 0.586 . . . . 0.0 112.231 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.61 -56.48 4.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.769 -179.418 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.526 ' HB2' HG22 ' A' ' 157' ' ' THR . 83.5 m-20 -112.68 19.29 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.743 -179.708 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.4 -47.14 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.304 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.68 -14.84 61.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -64.49 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.029 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 126' ' ' VAL . 32.1 m -85.51 -27.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.31 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.49 -43.87 79.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.85 -30.05 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.931 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.16 -52.9 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.09 -35.11 76.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.072 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 11.0 ttp -54.66 -38.47 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -68.12 -34.25 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.48 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.992 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.592 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 70.3 mt -64.8 -34.89 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -76.1 -47.81 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.792 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.3 m -87.33 -59.03 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.86 -53.98 26.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -177.244 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 28.9 tptp -60.82 -46.09 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.647 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -13.26 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.468 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 110.631 179.788 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.8 155.2 16.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.654 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.46 119.39 31.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.264 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -113.82 106.36 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 90.0 mttt -88.26 124.97 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.478 -179.392 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.19 130.45 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -111.69 120.84 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.328 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 96.0 mmm -66.94 94.08 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.337 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.8 p -106.47 163.6 4.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.696 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.73 -149.64 11.15 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.509 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -66.22 -47.04 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.6 -13.84 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.169 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.755 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 93' ' ' PHE . 14.2 m -131.25 -27.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.9 34.94 0.09 OUTLIER Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 45.5 mtmt -58.24 -55.09 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 96.2 p -61.77 -30.83 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.154 0.502 . . . . 0.0 111.258 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.36 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.603 -179.408 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 92' ' ' VAL . 1.9 mt -61.1 -25.06 66.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.241 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.5 m -68.64 -50.16 53.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.75 -29.17 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 18.9 mm-40 -74.09 -28.44 61.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -73.6 -50.4 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.384 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 46.7 ttm -82.55 -50.29 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.224 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.02 -21.29 18.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.278 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 59.11 35.94 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.368 -179.588 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -141.82 128.53 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HB2' HE22 ' A' ' 33' ' ' GLN . 81.2 t80 -73.96 114.24 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 42' ' ' ASP . 47.3 t -129.4 123.7 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.63 -29.65 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' H ' HG12 ' A' ' 40' ' ' VAL . 11.3 m-20 -60.41 148.27 37.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -125.79 168.6 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.63 101.71 11.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.741 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -48.68 152.39 4.32 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.573 2.182 . . . . 0.0 112.484 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.6 m -112.48 143.52 43.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.425 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -139.91 -47.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.659 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.76 -11.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -74.3 127.63 33.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -115.99 168.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -114.43 149.05 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.5 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttm180 -150.94 137.95 19.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.55 141.75 17.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -80.13 130.29 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.847 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.24 151.6 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.66 138.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.0 tp -139.74 96.64 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 57.94 31.54 20.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -32.12 7.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' HG3' HG13 ' A' ' 62' ' ' VAL . 10.6 tp10 -79.15 116.17 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.785 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -85.9 117.42 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 60' ' ' GLU . 34.0 m -136.16 140.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.753 179.663 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 26.8 mt-30 -89.22 142.87 27.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.01 -179.541 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 tt -112.29 132.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 19.8 t70 -107.06 113.97 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.8 mt -106.22 145.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.26 105.48 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.24 131.18 49.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -131.0 105.08 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.27 -171.42 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.595 179.565 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.273 179.714 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -70.89 -31.24 67.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.8 -31.14 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -50.1 -40.71 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -61.27 -35.73 78.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.4 m-85 -75.29 -19.99 59.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.074 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HA ' ' HB ' ' A' ' 114' ' ' VAL . 75.3 ttt180 -83.76 -38.94 20.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.149 -179.802 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.5 p -62.7 -22.13 66.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.53 167.93 24.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.342 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.53 -48.56 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.81 164.71 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.259 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.1 148.02 52.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -132.0 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.0 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.054 -179.267 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 30' ' ' LEU . 23.1 t -134.88 136.62 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.112 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 7.7 p90 -144.13 157.03 44.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.175 178.087 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -97.43 146.38 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.482 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.9 pt -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.361 179.59 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.47 HG21 HD12 ' A' ' 132' ' ' LEU . 75.5 p -72.61 -20.35 61.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.855 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.47 96.4 5.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.87 -16.24 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.612 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.28 -26.45 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.679 -179.331 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -68.3 -44.44 75.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.065 -179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -56.2 -37.78 70.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.443 -179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -72.69 -54.35 9.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.65 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -59.21 -35.13 73.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD21 ' A' ' 91' ' ' LEU . 4.8 p -60.2 -38.08 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.468 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.41 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.891 178.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 10.1 tp10 -65.62 -32.39 73.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.43 179.374 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.03 -24.74 43.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.671 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -49.11 -42.38 39.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.48 -33.14 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.5 -179.735 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -72.37 -27.35 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.56 -43.25 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.493 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.42 -26.08 66.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.805 -179.553 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -54.64 -50.68 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.716 0.293 . . . . 0.0 111.627 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 83' ' ' PHE . 5.5 m -67.93 -11.94 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.741 -179.594 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 75.3 mmtt -125.98 68.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.806 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.58 -26.73 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.768 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.4 4.57 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 44.4 tt0 -120.91 139.72 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.776 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.31 -4.95 18.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.182 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.495 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 75.3 mmtt -120.7 95.82 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.217 -179.76 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -109.6 109.66 59.79 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.04 124.97 17.51 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.234 1.956 . . . . 0.0 112.072 179.691 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 44.1 tp -138.37 156.02 48.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.05 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.5 tp -163.27 129.89 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.279 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.681 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.2 p -106.0 143.89 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.51 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.477 HG13 HG13 ' A' ' 92' ' ' VAL . 9.8 p -148.57 154.99 9.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.223 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -121.01 106.51 1.14 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.017 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -81.67 -169.73 2.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -179.413 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 59.24 18.62 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.6 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.2 t -63.34 -10.84 18.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.48 -14.32 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.089 0.471 . . . . 0.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD3' ' A' ' 135' ' ' ARG . 22.2 mt -114.09 86.84 2.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.57 179.685 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.524 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.0 mt-10 -72.68 -24.45 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.176 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.43 -35.52 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 132' ' ' LEU . 38.8 mtp180 -87.89 15.94 6.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.524 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.0 ttm180 -87.55 109.23 19.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.393 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -90.75 -28.51 18.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.418 -179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.28 110.26 45.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.414 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.54 142.45 90.14 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.193 1.929 . . . . 0.0 111.534 179.243 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 12.6 p -59.26 -38.01 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.52 -43.56 89.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.435 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.92 -45.26 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.369 -179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.61 79.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 154' ' ' TYR . 95.8 mtt180 -60.5 -44.73 95.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.77 -179.665 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -56.17 -39.93 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.583 -179.442 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -48.52 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.565 -179.276 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.681 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.78 -28.6 69.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.714 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.33 -27.38 55.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 179.422 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -81.34 -15.49 55.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.56 24.78 15.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.961 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.87 177.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.127 0.489 . . . . 0.0 111.454 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.78 132.23 54.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.127 179.549 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.633 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.0 t80 -96.47 141.98 29.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.158 0.504 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 152.13 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.851 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.19 138.85 31.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 63.1 p -146.47 160.44 42.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.438 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.2 p -125.19 109.01 12.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.752 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.11 6.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.589 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -97.63 -52.76 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.627 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 30.3 p -86.83 5.05 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.15 37.42 0.05 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.93 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.73 -179.589 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.8 m-20 -112.26 23.86 13.2 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.497 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -68.29 -39.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.707 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 169' ' ' PHE . 6.7 p-10 -73.97 -14.91 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.144 179.551 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 48.1 tptt -56.65 -37.88 71.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.967 -179.304 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 165' ' ' VAL . 21.2 m -75.98 -30.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.868 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 169' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' A' ' 166' ' ' ASP . 98.8 m-85 -74.39 -45.62 45.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -72.16 -44.24 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.58 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.2 -53.78 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.699 0.285 . . . . 0.0 110.985 -179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.5 tp -61.75 -33.4 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.3 ttm -54.44 -42.64 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -68.7 -35.03 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -70.52 -26.4 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 172' ' ' LEU . 97.3 mt -72.25 -49.72 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.306 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.9 ptm180 -73.38 -24.68 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.547 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -88.46 -60.05 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -71.59 -54.45 10.4 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.375 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -53.73 53.82 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -60.86 -17.23 49.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.609 0.243 . . . . 0.0 111.581 -179.085 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.732 179.881 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 -176.16 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.11 97.43 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.617 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.53 120.17 40.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 50.2 mttp -104.27 137.09 42.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -117.97 125.87 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.25 115.4 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mmt -67.52 97.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.9 p -106.6 167.07 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.32 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 151.27 -148.42 19.48 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.911 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.765 ' N ' HG22 ' A' ' 104' ' ' THR . 29.0 t -56.35 -63.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.958 0.408 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.77 37.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.381 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 84.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.07 -34.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.93 35.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' ' H ' ' A' ' 28' ' ' SER . 15.6 ptpt -65.94 -56.51 11.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.204 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.538 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.6 p -54.91 -30.05 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.18 0.514 . . . . 0.0 110.864 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.87 -52.8 61.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.701 -179.416 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 92' ' ' VAL . 3.5 mt -61.96 -25.17 67.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.437 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.591 HG23 HG21 ' A' ' 66' ' ' ILE . 88.7 m -65.8 -47.92 73.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.21 -179.664 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.02 -36.41 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.039 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.1 mm100 -60.08 -39.13 85.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -72.28 -25.02 61.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.559 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.1 tpp -81.43 -49.42 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.158 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -119.93 -1.7 10.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.3 m-20 56.94 38.24 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.895 -179.717 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -148.91 143.57 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.19 106.66 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.59 141.18 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.66 133.4 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.96 -61.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 58.67 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -112.63 144.97 32.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.52 158.01 47.91 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.509 2.14 . . . . 0.0 112.15 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -127.46 122.55 33.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -149.89 -44.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.41 -16.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.74 125.6 29.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' ' 67' ' ' LEU . 65.2 p -126.93 176.79 7.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -102.63 163.12 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' ILE . 37.6 ttpt -151.18 157.3 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.431 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.59 125.93 47.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 111.354 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.52 137.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.649 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.85 144.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -138.08 97.7 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 55.26 30.79 15.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.72 29.45 8.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.747 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.61 113.14 4.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.72 115.19 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 169.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -106.53 118.77 37.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.515 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 53' ' ' LYS . 13.6 tt -105.43 132.51 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.1 t70 -118.46 116.68 27.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 31' ' ' THR . 57.2 mt -108.69 137.3 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 50' ' ' SER . 40.1 tp -139.13 105.26 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.5 116.59 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.822 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.1 p -84.61 -26.91 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.449 -179.756 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.6 -168.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.335 179.743 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.175 0.512 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -60.35 -38.24 83.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 179.648 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.17 -32.8 64.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.422 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -52.03 -52.99 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -179.598 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -62.71 -42.36 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.664 -179.343 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -62.94 -19.18 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.218 -179.694 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -79.62 -48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.134 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 t -68.55 -7.6 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.82 136.33 12.67 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.04 -7.73 38.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.32 155.75 24.19 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.22 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -132.8 138.4 47.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.3 . . . . 0.0 111.065 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -127.18 109.59 12.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 179.699 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.82 103.83 12.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.461 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 126' ' ' VAL . 4.0 t -111.44 137.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.942 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.1 p90 -153.47 146.4 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 178.517 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -83.07 145.3 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' A' ' 129' ' ' LYS . 31.0 pt -76.02 -32.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 38.3 p -74.34 -5.29 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -124.65 89.1 3.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -63.1 -17.2 62.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.874 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.57 -26.6 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 104' ' ' THR . 25.3 m -70.99 -51.56 24.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.648 -179.189 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -49.09 -42.99 40.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.51 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -71.07 -42.2 69.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.568 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.37 75.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.765 HG22 ' N ' ' A' ' 22' ' ' SER . 44.9 p -66.42 -34.55 78.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.52 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.68 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.07 -179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 16.7 mm-40 -64.1 -45.91 86.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.89 -24.94 67.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.524 -179.866 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.01 -52.34 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.0 pt-20 -70.67 -34.85 72.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 -179.747 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 10.0 mt-30 -58.51 -24.66 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.847 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.81 -37.02 77.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.05 -26.23 65.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.0 -179.55 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 20.7 mmm180 -50.67 -50.36 54.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.748 0.309 . . . . 0.0 111.617 -179.161 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.5 m -73.07 -18.58 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.829 -179.545 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 74.6 mmtt -115.83 45.01 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.046 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -21.02 66.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.326 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.5 OUTLIER -102.25 -29.95 11.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.2 tp10 -80.56 125.9 30.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.57 -56.43 4.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -69.58 120.6 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.5 mm -118.71 105.99 44.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.377 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.09 121.59 8.21 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.343 2.029 . . . . 0.0 111.785 179.49 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.0 tp -148.12 161.72 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 44.3 tp -161.01 131.22 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.66 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.0 p -100.91 143.06 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.257 -179.303 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 92' ' ' VAL . 15.0 p -142.4 149.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.59 -179.594 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.75 106.18 1.35 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.863 179.476 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -79.92 -172.3 3.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.75 0.309 . . . . 0.0 110.659 -179.364 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB3' HG12 ' A' ' 95' ' ' ILE . 10.2 tppt? 60.51 14.8 5.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.343 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -57.41 -18.46 18.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.389 -179.383 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.38 -22.18 52.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 50.9 mt -106.71 82.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.82 -33.02 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -76.24 -10.97 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.8 mtt180 -114.98 12.47 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.211 -179.782 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.9 ttm180 -77.81 110.44 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.459 179.703 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -87.18 -32.34 19.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.93 105.49 24.15 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.471 -179.708 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.04 135.69 64.37 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.089 1.86 . . . . 0.0 111.405 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -52.34 -45.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.667 -179.281 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.54 -48.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.514 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.27 -40.24 93.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.62 -28.75 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtt180 -76.12 -39.74 54.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.298 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.89 -41.17 97.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.809 -179.026 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.57 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.312 -179.342 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.66 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.14 -33.78 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.869 -179.33 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.22 -32.0 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.672 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 10.5 m0 -68.08 -24.63 65.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.71 24.86 6.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.199 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.32 165.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -106.9 139.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.847 178.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.611 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -104.08 139.38 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.335 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -135.33 153.09 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.861 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -89.83 138.18 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.3 p -145.57 154.8 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.122 0.487 . . . . 0.0 112.018 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 160' ' ' LYS . 21.2 t -129.0 111.2 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.35 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.31 7.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.452 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 158' ' ' SER . 29.1 tptp -99.46 -54.03 3.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 t -90.16 3.7 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.091 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.466 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 34.55 43.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.107 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.14 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.556 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 4.4 m-20 -112.18 23.35 13.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.35 179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.6 p -66.13 -42.6 91.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.418 179.449 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.87 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.556 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 20.2 tptm -57.1 -31.82 65.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.117 -179.306 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -84.53 -27.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.21 -46.87 31.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -72.22 -39.47 68.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.639 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.33 -53.68 48.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.345 -179.492 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 176' ' ' ILE . 52.0 tp -62.14 -32.73 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.6 ttm -55.99 -45.86 78.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 23.9 mmm180 -68.39 -35.84 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.93 -32.03 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.4 mt -71.66 -46.97 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.464 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.481 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 11.9 ptm180 -74.38 -25.94 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.856 -179.21 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 91.2 m -87.7 -59.42 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -70.97 -54.6 10.74 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.818 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 86.7 tttt -61.76 -56.84 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -54.2 -18.08 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.133 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.681 0.277 . . . . 0.0 111.131 179.842 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 100.71 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -83.98 104.42 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.81 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -103.92 124.71 49.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -92.44 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.469 -179.371 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.1 139.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.59 125.72 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.465 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.25 105.33 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.738 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.1 p -117.94 162.48 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 160.3 87.28 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.067 -179.768 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 104' ' ' THR . 29.3 t 59.62 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.793 0.33 . . . . 0.0 111.367 179.481 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.7 -49.79 0.09 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.29 64.11 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.16 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 HD21 ' A' ' 128' ' ' ASN . 93.8 t -108.98 -48.85 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.233 -179.664 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.93 37.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.304 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' MET . 26.5 mtmm -53.08 -36.69 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.514 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.3 p -72.49 -29.16 63.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.978 179.647 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.06 -52.34 65.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.164 -179.022 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -62.71 -25.37 68.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.444 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.7 m -66.38 -57.38 7.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.595 -179.414 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.27 -30.15 68.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.628 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.1 mm100 -72.69 -40.12 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 111.105 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.04 -35.09 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.5 mtp -82.45 -49.46 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.429 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -99.74 -20.16 16.39 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 m-20 61.24 33.91 18.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.184 0.516 . . . . 0.0 110.086 -179.164 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.75 134.86 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.65 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -89.26 108.7 19.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.5 t -136.44 135.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.71 108.21 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.976 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -161.44 141.71 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -111.55 141.59 44.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -140.65 102.98 6.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.41 154.13 31.23 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.422 2.081 . . . . 0.0 112.678 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -82.19 103.35 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.34 33.55 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.5 15.71 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.283 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -106.7 126.23 52.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -99.36 176.09 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.808 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -107.3 162.29 14.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -141.23 130.44 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 111.299 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -165.31 152.06 10.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.955 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HE3' ' OE1' ' A' ' 61' ' ' GLU . 5.5 pttt -133.73 137.39 45.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.378 . . . . 0.0 111.094 -179.705 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.56 160.54 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.242 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.2 p -73.67 144.56 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 173' ' ' MET . 45.2 tp -135.96 99.62 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.16 30.97 13.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.16 -48.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.786 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -86.35 117.06 24.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.1 tt0 -84.34 114.99 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.12 152.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -86.54 164.42 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.05 146.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.901 0.382 . . . . 0.0 111.354 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -128.06 120.21 26.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.28 143.47 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.1 tp -131.51 118.76 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.91 128.25 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.9 p -118.25 150.35 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.458 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.92 -166.78 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.318 179.69 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.194 0.521 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -60.43 -45.39 93.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.998 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.61 -30.84 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.39 -38.12 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.487 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -69.51 -32.39 71.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.301 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.02 -18.68 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -83.14 -24.07 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 13.91 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.96 150.82 18.48 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.81 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -98.94 -37.97 9.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.485 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -108.24 159.55 14.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.478 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.8 129.76 26.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 HG23 ' A' ' 168' ' ' VAL . 1.1 tt -120.45 103.47 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.636 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.1 tm? -82.94 129.31 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' N ' HD13 ' A' ' 91' ' ' LEU . 85.5 t -141.62 120.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 111.859 -179.78 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.613 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -121.88 151.25 40.89 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.449 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -89.15 135.16 33.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.33 -179.833 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.473 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 25.7 pt -70.27 -32.14 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.7 p -72.98 -20.84 60.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.533 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.62 97.72 6.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.649 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.77 -16.23 56.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.21 -26.7 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 25' ' ' VAL . 17.8 m -69.99 -53.76 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.043 -179.424 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.06 -40.1 57.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.545 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.3 p -72.79 -54.01 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.457 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.3 81.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.363 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.636 ' HB ' HD11 ' A' ' 91' ' ' LEU . 17.2 p -56.54 -31.76 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.53 -44.7 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.429 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -63.22 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.035 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -48.98 -47.31 44.32 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.913 0.387 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.8 mt-10 -70.63 -40.57 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -56.15 -33.28 65.05 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.6 -46.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.72 -26.6 65.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -55.75 -50.67 69.78 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.6 m -64.51 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.739 -179.23 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 114' ' ' VAL . 0.9 OUTLIER -132.3 77.91 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 111.273 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.96 -33.48 22.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.627 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.79 -38.69 82.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.19 101.39 0.71 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.35 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.78 -29.56 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -107.49 118.04 35.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.2 107.88 32.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.562 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.485 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 18.0 Cg_endo -58.13 110.52 0.65 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.351 2.034 . . . . 0.0 112.154 -179.733 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.46 153.72 46.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -164.95 123.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.326 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.607 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -103.66 142.21 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.066 0.46 . . . . 0.0 111.725 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 168' ' ' VAL . 16.8 t -144.47 152.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.625 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.05 137.02 11.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.324 179.836 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.498 HD21 HG12 ' A' ' 25' ' ' VAL . 37.5 p30 -102.65 -167.64 1.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 95' ' ' ILE . 41.6 mmtm 63.74 17.37 10.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.538 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.9 t -57.62 -14.25 5.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.41 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.59 6.6 6.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.372 . . . . 0.0 110.737 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.558 HD13 ' HD3' ' A' ' 135' ' ' ARG . 33.7 mt -130.74 74.5 1.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.81 -38.11 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.532 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.18 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.459 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.558 ' HD3' HD13 ' A' ' 132' ' ' LEU . 41.7 mtp180 -109.39 -29.45 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.963 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.538 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.0 ttm105 -40.76 108.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.214 -178.881 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 53.5 tp60 -82.59 -32.76 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.11 107.11 29.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 43.6 Cg_exo -56.45 126.71 23.19 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.957 1.771 . . . . 0.0 111.315 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.01 -43.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.213 -179.653 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.0 -49.65 77.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.88 -29.3 69.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.27 -29.26 53.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.8 mtt180 -76.86 -38.46 53.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -62.63 -36.88 84.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.519 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -77.4 -47.95 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.55 -38.95 60.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.558 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.31 -32.09 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.649 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -51.99 -48.07 64.59 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 110.981 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.519 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.0 m0 -65.55 -18.97 65.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.52 13.41 32.77 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.107 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.86 -176.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.144 0.497 . . . . 0.0 111.463 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -125.89 130.27 50.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.69 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.607 ' HD1' HG22 ' A' ' 125' ' ' VAL . 29.3 t80 -94.92 131.28 41.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.0 0.429 . . . . 0.0 111.207 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 126' ' ' VAL . 8.0 p -126.26 154.02 35.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.583 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -90.06 147.17 23.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.657 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 164' ' ' ASN . 37.6 p -150.95 168.03 25.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.95 0.405 . . . . 0.0 111.485 -179.524 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -136.03 108.69 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.684 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.39 -4.38 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.01 -42.37 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -95.01 -0.37 53.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.26 41.86 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.976 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.93 -55.81 5.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.913 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.522 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.3 m-20 -111.79 9.33 20.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.172 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.8 p -58.18 -40.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.977 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.89 -32.95 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.281 179.714 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -56.65 -31.45 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.969 -179.094 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.3 m -73.63 -30.57 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.524 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.52 -40.13 61.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.48 -35.93 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.429 ' OD1' HD11 ' A' ' 124' ' ' LEU . 15.8 t70 -61.97 -50.91 70.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 -179.639 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 124' ' ' LEU . 67.3 tp -65.57 -32.22 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 46.6 ttm -54.68 -45.76 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.471 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.61 -36.24 83.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.12 -49.75 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 53.7 mt -58.63 -31.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.519 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 -55.27 5.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.315 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.2 m -87.56 -58.92 2.4 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.401 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -60.65 -54.32 46.78 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.536 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 27.9 tptp -62.07 -58.17 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.659 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -56.63 -15.89 5.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.997 179.949 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.37 140.77 30.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.5 tp -114.47 112.47 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.07 123.31 47.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.14 144.23 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 2.9 t -121.36 118.39 55.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.19 105.75 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.744 179.337 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.597 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -62.93 98.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.5 p -103.58 156.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.678 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.87 -161.81 26.74 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.359 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 59.5 p -64.53 -45.35 87.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.401 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.56 31.81 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.23 69.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.295 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -127.07 -31.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.113 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.15 36.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.409 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.2 ptpt -54.7 -34.42 62.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.4 p -66.95 -29.74 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.199 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.22 -52.6 63.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -60.05 -25.16 65.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.2 m -69.08 -57.36 5.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.65 -29.59 66.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.956 -179.198 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.3 mm100 -70.31 -43.12 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -72.98 -28.7 62.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.664 0.269 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.423 ' SD ' HD12 ' A' ' 66' ' ' ILE . 94.0 mmm -82.1 -49.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.398 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -117.87 -15.47 10.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.237 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.8 60.12 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 40' ' ' VAL . 8.7 tp10 -160.83 127.26 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -89.08 106.04 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 38' ' ' GLU . 95.8 t -143.17 140.54 26.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.55 108.79 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -164.67 156.47 15.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.102 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -155.86 152.66 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.43 119.0 8.4 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.8 149.73 40.01 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.405 2.07 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.5 m -90.34 122.88 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -142.13 -60.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.05 7.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.28 130.29 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -137.25 149.71 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.73 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -96.46 159.63 14.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -151.04 134.25 16.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 111.093 179.745 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -163.4 160.49 23.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 57.6 mtpt -115.4 130.07 56.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.33 145.66 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -82.73 135.32 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.9 tp -136.32 111.0 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.729 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' HB2' HH22 ' A' ' 177' ' ' ARG . 21.3 t70 57.37 31.07 19.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.161 0.505 . . . . 0.0 110.594 -179.818 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 -30.53 8.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.62 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -92.83 114.02 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.1 tt0 -82.48 117.71 22.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 179.767 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.0 149.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 21.9 mt-30 -80.74 158.44 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.233 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 17' ' ' VAL . 11.9 tt -144.87 126.08 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.118 0.485 . . . . 0.0 111.573 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.63 113.19 25.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.166 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 ' SD ' ' A' ' 35' ' ' MET . 75.4 mt -101.38 126.85 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 68' ' ' ASP . 1.6 tm? -96.96 133.9 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 67' ' ' LEU . 27.0 t70 -52.44 -71.58 0.07 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.6 -179.331 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 67' ' ' LEU . 29.0 m 66.97 144.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.762 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.23 177.82 7.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.327 179.895 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 50.6 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -57.08 -49.09 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 179.582 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.23 -39.59 72.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 14.4 m120 -53.58 -34.73 59.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.644 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -76.87 -39.66 50.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -69.55 -17.05 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.402 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -84.28 -22.04 30.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -85.5 13.45 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.514 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 167.34 25.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.797 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.48 -45.9 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.753 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.98 152.3 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.422 179.872 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -128.37 141.03 51.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 124' ' ' LEU . 20.1 tp -133.03 108.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.325 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.1 tp -82.44 137.7 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.898 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -141.04 126.02 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.397 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.448 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.1 p90 -137.55 150.71 47.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.168 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 p -89.07 133.28 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.21 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 129' ' ' LYS . 30.7 pt -71.76 -24.87 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.422 179.494 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.426 HG21 HD12 ' A' ' 132' ' ' LEU . 73.1 p -72.05 -24.31 61.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.667 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -117.78 104.39 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -62.27 -15.88 50.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.1 -26.67 62.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -179.165 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 80.7 p -70.62 -54.25 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.506 -179.251 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -57.53 -34.21 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 111.346 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.0 p -72.79 -54.0 10.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.343 -179.188 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -61.29 -41.13 96.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -179.616 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.657 ' HB ' HD21 ' A' ' 91' ' ' LEU . 16.5 p -54.56 -31.03 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.673 179.2 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.54 -36.0 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.446 -179.457 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.7 -40.85 92.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -53.33 -23.04 8.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.0 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -46.56 -46.8 19.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.16 -43.35 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.597 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 1.5 mp0 -56.02 -36.0 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.322 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.59 -43.05 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 111.682 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.81 -26.78 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 23.6 mmt180 -53.88 -49.55 68.29 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.614 -179.502 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -72.76 -29.81 31.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.175 -179.177 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.31 63.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 111.403 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.28 -17.85 35.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -97.1 -4.43 39.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.12 124.88 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.27 -47.36 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.1 mptm? -88.12 110.79 20.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.4 mm -108.53 104.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.085 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.02 133.5 33.59 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.245 1.963 . . . . 0.0 112.121 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 124' ' ' LEU . 57.3 tp -153.22 159.2 42.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 90' ' ' LEU . 42.1 tp -163.01 118.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.997 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.609 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -87.51 142.35 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.994 0.425 . . . . 0.0 111.331 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -137.21 146.34 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.75 125.24 6.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.252 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -96.03 -174.5 3.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.855 0.36 . . . . 0.0 110.583 -179.638 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.521 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.8 mmtp 57.62 18.18 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 p -56.93 -32.42 65.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 111.033 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -52.95 -20.46 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.855 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.452 HD13 ' HD3' ' A' ' 135' ' ' ARG . 73.2 mt -103.69 72.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.538 179.6 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.18 -21.49 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.258 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.435 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -81.75 -21.33 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.452 ' HD3' HD13 ' A' ' 132' ' ' LEU . 80.2 mtp180 -106.17 12.45 30.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.0 ttm180 -76.18 112.46 12.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -88.06 -29.41 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.4 t -103.73 103.01 34.21 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.078 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.5 139.14 75.23 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.203 1.935 . . . . 0.0 111.771 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -54.62 -45.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.251 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.4 mt-10 -56.83 -49.92 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.08 -31.07 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.16 -29.09 60.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.215 -179.744 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 141' ' ' GLU . 77.9 mtm180 -72.14 -42.75 65.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -61.08 -43.71 98.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.43 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -73.74 -48.39 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.832 -179.56 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.08 -35.88 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.3 -31.74 71.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.42 -49.0 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.472 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 26.3 m0 -63.34 -22.57 66.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.701 179.448 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.94 18.75 14.4 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.845 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.0 158.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.433 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.31 135.5 41.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.609 ' HD1' HG22 ' A' ' 125' ' ' VAL . 27.1 t80 -98.41 144.73 27.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.08 0.467 . . . . 0.0 111.694 -179.134 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.502 HG21 ' HE2' ' A' ' 167' ' ' LYS . 61.1 t -138.31 152.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.184 -179.861 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.44 144.0 26.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.33 179.589 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.4 p -150.5 156.86 42.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.052 0.453 . . . . 0.0 111.893 -178.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -137.02 111.94 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.463 179.236 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -62.89 -7.83 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.46 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -83.56 -53.43 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.0 t -92.5 -1.07 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.36 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? 33.31 46.32 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.06 -55.95 4.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.138 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 13.28 22.36 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.1 p -61.81 -47.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.3 p30 -73.87 -18.63 60.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.25 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.502 ' HE2' HG21 ' A' ' 155' ' ' VAL . 1.9 tmtp? -64.28 -33.48 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 165' ' ' VAL . 15.1 m -82.26 -26.82 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.28 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -70.87 -44.09 67.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 110.459 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -72.04 -44.59 63.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 179.537 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.53 -50.03 68.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 176' ' ' ILE . 66.2 tp -59.16 -42.2 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.422 ' HE2' HD12 ' A' ' 64' ' ' ILE . 46.5 ttm -54.76 -40.33 69.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 57' ' ' LEU . 77.6 mtp180 -68.89 -35.72 77.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 -179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.73 -27.14 62.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.0 mt -72.76 -54.51 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.456 -179.767 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.445 ' HA ' ' HG2' ' A' ' 181' ' ' MET . 18.2 ptt180 -63.55 -26.16 68.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.6 m -87.32 -59.68 2.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.377 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -71.07 -54.14 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.342 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -60.08 4.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.761 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 177' ' ' ARG . 23.2 mmt -55.67 -21.95 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.028 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.9 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.69 162.21 25.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -135.54 108.77 7.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.707 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -107.21 153.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.1 mttt -128.64 112.35 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.04 127.2 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.783 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' HA3' ' A' ' 86' ' ' GLY . 32.1 mm -92.27 127.01 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 179.777 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.582 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.9 tpt -81.12 76.62 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -85.29 155.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.51 -167.58 35.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 25' ' ' VAL . 14.2 t -60.9 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.043 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.72 -29.67 0.24 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.277 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.16 41.32 1.31 Allowed Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.941 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 22' ' ' SER . 61.1 t -88.61 -74.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 111.42 -179.618 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 162.37 32.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.769 -179.613 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 41.7 pttt -49.83 -38.21 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.437 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -68.74 -29.74 68.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.08 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.3 -52.62 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.221 -179.078 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -58.97 -25.14 63.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 66' ' ' ILE . 57.7 m -70.45 -46.2 64.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.438 -179.648 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.64 -38.51 77.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.39 -179.533 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.527 HE21 ' HB3' ' A' ' 162' ' ' ARG . 12.9 mm100 -60.6 -39.48 88.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.849 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.7 -25.47 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.121 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.9 tpp -81.98 -49.84 9.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.63 -14.05 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.178 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.4 m-20 64.73 39.92 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -139.9 127.64 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.532 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -86.68 110.79 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.69 143.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.12 -45.32 89.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.726 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.59 130.57 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -134.43 -178.3 4.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.099 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -130.39 118.9 18.28 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.95 135.43 58.36 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.3 2.0 . . . . 0.0 112.345 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 68' ' ' ASP . 26.8 m -91.56 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.05 92.03 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.34 21.31 8.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.219 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -114.87 131.64 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.1 p -118.24 171.82 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 80.8 m-85 -119.44 122.38 41.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.46 131.36 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -149.93 135.42 18.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -79.97 117.07 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.05 142.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.992 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.4 p -75.01 141.18 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -142.66 108.11 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.57 30.9 19.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 -33.45 6.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.661 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -99.08 119.68 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -78.7 118.31 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.195 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.78 144.7 31.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.3 132.39 35.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.023 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 tt -105.7 137.18 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -122.54 116.38 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.578 HG21 HG23 ' A' ' 31' ' ' THR . 70.7 mt -108.71 113.78 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.35 99.37 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' HB2' ' OG1' ' A' ' 46' ' ' THR . 4.0 m-20 -66.04 176.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.45 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.7 p -146.66 -178.59 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 90.9 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.049 -179.754 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.846 0.355 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -62.88 -34.54 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.34 -31.37 72.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.323 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.53 -34.66 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -70.36 -47.8 59.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 -179.536 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 114' ' ' VAL . 64.4 m-85 -63.85 -30.68 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.721 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.18 -6.11 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.6 t -95.61 3.69 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -136.53 169.07 23.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.568 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -111.94 -27.66 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.15 166.9 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.421 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -138.13 134.14 34.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 168' ' ' VAL . 14.4 tp -124.44 100.24 6.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.556 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -84.16 104.35 14.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 126' ' ' VAL . 11.0 p -111.49 139.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.857 179.646 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -148.27 164.76 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.868 178.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG13 ' A' ' 25' ' ' VAL . 50.0 m -100.14 149.82 23.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 111.477 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.517 HG12 ' HB3' ' A' ' 129' ' ' LYS . 5.8 pt -78.81 -42.42 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.783 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.2 p -60.45 -29.01 68.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.441 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.57 99.64 9.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.36 -16.83 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.046 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.57 -26.39 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.198 0.523 . . . . 0.0 110.227 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 24.9 m -65.47 -53.53 41.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.271 -179.505 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.17 -34.21 74.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.799 -179.37 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 p -71.75 -53.83 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.23 93.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.712 -179.875 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' ' 91' ' ' LEU . 10.1 p -57.81 -31.22 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.401 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.14 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -66.76 -44.43 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.76 -25.27 64.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.078 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -49.84 -45.86 50.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.921 0.391 . . . . 0.0 110.312 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 46.5 mt-10 -70.67 -39.43 73.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.917 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.14 -34.23 65.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.029 -179.611 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.7 mt -58.68 -47.33 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.08 -29.9 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.648 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 30.3 mtp180 -60.04 -51.3 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.782 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.58 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -65.94 -13.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.9 mmtt -125.64 64.6 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.0 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.381 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -102.03 22.63 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 110.395 179.668 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 12.8 pt-20 -56.45 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.219 -179.392 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.67 -44.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.624 179.491 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -140.31 90.38 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.987 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.5 mm -89.39 111.09 43.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.677 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.489 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -80.5 135.18 10.36 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.437 2.091 . . . . 0.0 111.911 179.39 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 53.3 tp -144.8 160.66 40.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 33.0 tp -162.16 126.58 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.233 179.286 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.2 p -105.91 143.64 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.821 -179.024 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.634 HG13 HG23 ' A' ' 92' ' ' VAL . 7.7 p -145.97 140.83 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.994 179.421 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.83 108.92 2.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.174 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.3 p-10 -83.2 -161.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.46 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.9 tppt? 65.73 10.7 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -58.99 -10.79 2.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.248 -179.88 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.59 -2.12 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 110.531 179.415 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 135' ' ' ARG . 63.0 mt -128.72 77.31 1.77 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.5 -35.45 73.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -71.71 -9.19 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.501 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.6 mtt180 -116.94 -6.36 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.375 -179.809 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.9 ttm180 -56.84 107.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -86.52 -32.55 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.207 -179.336 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.1 t -92.3 110.48 44.84 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 125.46 16.16 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.946 1.764 . . . . 0.0 111.019 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -49.99 -44.33 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.331 -179.466 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.48 -43.71 72.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.286 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.17 -53.06 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.9 64.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.326 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.1 mtt180 -68.22 -51.07 49.57 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -56.84 -37.71 71.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.689 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -70.46 -48.47 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 179.73 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.418 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.33 -30.49 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.572 -179.284 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.15 -32.3 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.83 -36.02 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -77.51 -18.73 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.46 15.25 27.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.972 -179.641 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.1 -175.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.454 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.13 143.48 49.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.687 178.924 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.601 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.4 t80 -109.7 124.84 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.941 0.4 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.11 154.4 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -89.05 146.37 24.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.783 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 32.8 p -149.33 169.22 21.31 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.652 -179.39 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -138.37 110.98 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.62 179.784 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -67.44 -6.58 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.284 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -90.56 -51.18 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 60.4 p -86.51 -6.8 58.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.527 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.5 ppt_? 37.0 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.037 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.81 -51.37 10.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.802 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.49 8.41 31.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 30' ' ' LEU . 11.7 p -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.074 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.98 -14.79 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.016 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.5 -36.51 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.637 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 p -76.26 -28.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.727 -178.912 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -71.51 -43.94 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.98 -42.65 66.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.66 -51.94 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 172' ' ' LEU . 0.9 OUTLIER -58.21 -49.09 78.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.532 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.458 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 13.6 ttp -53.9 -41.27 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.546 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.69 -37.51 76.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.005 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.42 -32.63 74.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.429 HD11 HD11 ' A' ' 172' ' ' LEU . 86.0 mt -72.84 -50.14 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.38 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 173' ' ' MET . 67.7 mtp180 -58.78 -31.01 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.2 m -87.27 -58.71 2.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.201 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -69.67 -54.08 15.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.939 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.44 -56.46 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.799 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.3 mmt -61.6 -13.04 18.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.766 -179.063 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.65 179.85 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.42 155.58 40.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.29 116.76 23.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.85 149.7 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.4 mttm -128.7 127.0 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.02 130.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.791 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -66.91 94.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.751 179.802 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.6 p -102.72 164.04 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.645 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 170.86 -163.29 36.36 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.768 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.9 t -57.28 -49.56 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.029 0.442 . . . . 0.0 110.766 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.79 -17.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.279 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.85 90.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.561 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.1 m -134.64 -0.36 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.307 . . . . 0.0 111.419 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.42 40.02 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.806 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 35.3 mtmm -64.43 -54.43 32.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.89 0.376 . . . . 0.0 110.658 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -57.13 -29.93 64.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.766 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.63 -52.29 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.474 -179.69 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD11 HG11 ' A' ' 92' ' ' VAL . 5.8 mt -58.05 -25.54 61.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.084 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.6 m -73.81 -39.58 63.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.801 179.698 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.87 -29.66 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' HB2' HG21 ' A' ' 165' ' ' VAL . 11.8 mm100 -76.72 -33.48 58.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.0 110.565 179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -73.45 -48.14 35.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.382 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtp -82.13 -49.91 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -96.96 -28.67 14.08 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 26.5 t70 58.31 60.18 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 -179.191 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -166.8 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.704 -179.631 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -85.52 108.13 17.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.008 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.5 t -135.43 147.03 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.34 -0.62 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.613 ' H ' HG12 ' A' ' 40' ' ' VAL . 16.9 t70 -71.99 97.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -90.86 150.11 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.978 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 44.1 mt-10 -131.16 102.13 15.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.46 128.58 21.64 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.329 2.019 . . . . 0.0 112.09 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -95.78 136.23 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -117.98 -49.41 2.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.695 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.13 -8.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.21 129.4 34.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB3' HD23 ' A' ' 67' ' ' LEU . 81.3 p -107.68 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -112.49 161.12 17.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -150.76 132.48 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -144.93 149.68 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.464 179.832 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 62.3 mttp -109.13 119.63 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.962 0.411 . . . . 0.0 111.21 -179.723 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.07 149.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.932 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.7 p -81.31 145.15 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -138.5 103.29 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 56.02 31.24 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.98 -35.16 5.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.399 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -92.33 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.702 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.7 tt0 -85.77 122.16 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.28 152.82 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.667 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 48.6 mt-30 -81.18 144.92 31.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -121.65 123.37 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.566 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 21.8 t70 -110.02 114.39 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.6 mt -105.54 134.54 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.592 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 50' ' ' SER . 2.3 tm? -132.17 112.74 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.079 179.878 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.68 146.28 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.501 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -128.08 103.79 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 176.42 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 -179.996 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.438 HG22 ' HE2' ' A' ' 82' ' ' TYR . 63.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.639 0.257 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.463 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 ptp180 -61.63 -37.82 85.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -57.05 -31.77 65.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.459 179.673 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -70.62 -34.85 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HE2' HG22 ' A' ' 78' ' ' ILE . 60.8 m-85 -66.13 -43.14 87.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.6 m-85 -63.95 -18.01 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.09 -33.53 26.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -87.5 11.28 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.5 148.56 17.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.647 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 180' ' ' LYS . 13.3 mm-40 -107.39 -1.6 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.45 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -138.52 159.16 25.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.354 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -137.8 134.82 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 110.971 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -127.0 105.58 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.646 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.575 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.3 tp -82.76 123.36 29.24 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 -179.796 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 30' ' ' LEU . 40.6 t -128.82 135.07 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.793 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.676 ' HB3' HG21 ' A' ' 104' ' ' THR . 11.1 p90 -145.04 147.16 32.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.202 178.507 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.42 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 37.4 t -88.73 147.42 24.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 111.169 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.585 HG12 ' HB3' ' A' ' 129' ' ' LYS . 27.4 pt -77.78 -34.17 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.405 HG21 HD12 ' A' ' 132' ' ' LEU . 28.6 p -71.97 -5.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.646 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -128.34 97.14 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.567 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -62.87 -17.04 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.41 -26.91 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 37.9 m -67.21 -54.19 23.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.694 -179.388 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.05 -37.25 71.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.17 -54.0 10.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.961 -179.229 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.32 91.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.242 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.676 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -54.24 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 110.591 179.379 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.27 65.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.216 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -69.43 -47.07 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.701 179.813 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.8 -25.66 65.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.005 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -54.24 -44.3 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.49 -33.36 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.589 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 64.7 mt-30 -64.68 -29.8 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.63 -45.05 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.92 -26.83 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.913 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.589 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 27.5 mmt180 -53.05 -50.77 63.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.877 0.37 . . . . 0.0 111.668 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 14.8 m -69.77 -39.42 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.734 -179.522 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -96.08 35.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.821 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.94 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.98 -36.56 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.25 173.9 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.021 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -124.99 -50.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -80.02 97.2 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.46 179.8 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.37 120.89 49.21 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.534 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.9 Cg_endo -74.6 124.28 8.71 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.339 2.026 . . . . 0.0 112.022 179.692 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.9 tp -147.24 156.87 43.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.639 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.8 tp -157.72 125.88 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.288 179.357 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.583 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.9 p -99.0 143.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 92' ' ' VAL . 9.8 p -147.32 146.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 111.487 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -118.17 105.89 1.28 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.809 179.573 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 157' ' ' THR . 22.7 p-10 -80.33 -163.94 0.63 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.585 ' HB3' HG12 ' A' ' 95' ' ' ILE . 32.3 tptt 63.37 12.97 6.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.0 m -55.77 -14.75 2.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.355 -179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.62 -3.55 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.333 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.523 HD13 ' HD2' ' A' ' 135' ' ' ARG . 74.7 mt -126.53 79.09 1.83 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.718 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -71.24 -23.21 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.89 -9.4 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.027 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.523 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -116.54 11.05 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.179 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.449 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.6 ttm180 -74.83 108.42 7.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.23 -34.41 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.475 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.1 t -87.07 111.86 43.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.33 156.62 34.59 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.173 1.916 . . . . 0.0 111.891 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 94.0 t -68.09 -66.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.468 -179.783 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -53.67 -27.79 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.721 -179.135 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.04 -44.38 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.46 67.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.4 mtt180 -77.69 -40.82 40.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -179.759 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -50.48 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.697 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -48.89 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.337 . . . . 0.0 111.065 -179.436 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.4 -28.63 69.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.402 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.94 -32.39 69.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.019 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.03 -36.85 65.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -72.91 -22.53 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.69 31.45 4.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.466 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.38 173.96 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.57 132.79 55.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.762 179.099 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.583 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.4 t80 -95.63 138.86 32.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.176 0.512 . . . . 0.0 111.671 -179.104 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.12 154.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.041 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.86 141.58 28.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 67.8 p -150.33 173.54 13.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -147.82 111.62 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.69 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.71 -6.63 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 49.7 p -83.67 -9.46 58.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.421 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 37.44 35.12 0.05 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.862 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.55 -55.73 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.737 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.07 18.67 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.6 p -64.34 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.579 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.1 -14.54 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.558 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -62.64 -37.55 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 28.0 m -71.9 -27.1 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.418 -178.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.09 -46.75 32.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -71.82 -47.52 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.365 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.43 -54.04 46.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.28 -35.63 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.754 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.7 ttm -57.6 -44.06 85.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.571 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -69.56 -34.65 74.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.027 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 15.6 mm-40 -60.63 -35.76 76.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.2 mt -66.24 -37.96 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -76.36 -43.47 40.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.969 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 58.6 m -87.68 -58.75 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.077 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 80.1 tttt -69.67 -54.42 13.97 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -177.145 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.9 tttt -61.97 -35.46 78.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.168 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -81.97 -39.62 23.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -178.936 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.495 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.451 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -86.07 141.13 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.609 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 tm? -108.63 103.41 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -104.45 146.1 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.583 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.16 128.9 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.261 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.68 137.2 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.775 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.4 mm -106.33 132.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.295 -179.838 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.418 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -86.04 90.33 8.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.332 179.728 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.9 p -100.99 154.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.353 -179.706 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.64 -161.9 26.79 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.364 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.548 ' HB3' HG23 ' A' ' 25' ' ' VAL . 13.0 t -59.15 -61.99 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.672 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.29 -36.78 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.032 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.5 46.57 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.143 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 22' ' ' SER . 70.1 t -90.94 -66.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 0.0 111.268 -179.736 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.81 37.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.813 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -48.47 -48.03 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.994 0.426 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 31' ' ' THR . 60.5 p -66.0 -29.81 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 179.874 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.14 -53.4 54.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.367 -178.7 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -61.21 -24.84 66.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.372 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 28' ' ' SER . 58.8 m -71.9 -44.39 63.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.819 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.38 -42.73 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.569 -179.25 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 10.2 mm100 -55.96 -39.47 71.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 -179.683 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.75 -25.47 61.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.721 0.296 . . . . 0.0 111.483 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.2 tpp -81.94 -49.6 10.1 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.276 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.3 -3.1 10.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.6 m-20 58.83 29.51 18.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.39 140.7 35.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -91.39 107.3 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 42' ' ' ASP . 27.6 t -114.33 142.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.38 -35.06 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG12 ' A' ' 40' ' ' VAL . 28.5 m-20 -61.16 151.41 31.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -156.7 176.28 12.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.85 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 40.8 tt0 -153.3 132.23 6.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 20.1 Cg_exo -65.58 153.67 77.17 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.32 2.013 . . . . 0.0 112.02 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -124.48 136.74 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -128.46 -27.5 2.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.4 -9.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.265 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 48' ' ' ALA . 4.7 p-10 -79.45 137.83 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.4 p -128.97 170.3 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -109.1 150.89 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -140.1 134.5 31.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.965 0.412 . . . . 0.0 111.046 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.42 162.31 41.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.52 129.4 55.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 111.628 -179.434 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.56 144.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.635 179.636 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -91.7 143.48 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 53.1 tp -146.32 113.85 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 57.37 31.04 19.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.113 -179.803 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.26 36.27 18.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.729 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.14 114.78 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.841 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.42 124.8 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 13' ' ' ALA . 27.8 m -134.73 149.64 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.22 125.29 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.55 135.72 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.725 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.11 115.34 25.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.034 -179.681 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 31' ' ' THR . 68.3 mt -99.67 136.72 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -124.99 100.36 6.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.65 124.95 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 p -95.69 169.21 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.29 -163.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.779 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.283 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.353 179.785 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.921 0.391 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -49.96 -27.94 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.79 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.26 -32.31 64.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.521 -179.489 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.89 -45.95 89.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.536 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -63.34 -52.42 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.863 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -62.55 -32.58 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 111.404 -179.466 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -79.61 -1.41 37.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.4 -179.655 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.6 t -102.86 9.06 39.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.036 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.521 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.6 173.82 24.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.599 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.42 -29.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.702 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -105.31 155.77 16.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.54 133.25 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.707 0.289 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.809 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -126.2 101.98 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.023 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -83.45 126.36 32.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.0 t -130.12 143.77 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.529 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -153.07 156.96 39.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.397 178.549 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.405 ' OG ' HG13 ' A' ' 25' ' ' VAL . 69.4 m -96.76 149.62 21.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.057 0.456 . . . . 0.0 111.302 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' A' ' 129' ' ' LYS . 15.6 pt -78.53 -36.01 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 p -71.85 -4.4 27.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.63 97.51 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.83 -18.05 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.58 -26.53 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 30.0 m -67.39 -54.25 22.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.467 -179.322 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.82 -34.82 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.1 p -71.82 -53.32 13.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.713 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.2 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.5 p -66.46 -30.51 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.045 0.45 . . . . 0.0 110.664 179.295 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 108' ' ' ARG . . . -55.26 -54.55 42.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.172 -179.156 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.65 -43.6 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.647 0.26 . . . . 0.0 111.106 -179.631 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.3 -32.5 62.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.017 179.646 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 105' ' ' ALA . 3.2 tmt_? -57.87 -45.89 85.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.338 179.664 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.44 -33.41 71.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.471 ' O ' HG22 ' A' ' 114' ' ' VAL . 88.8 mt-30 -62.01 -28.2 69.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 114' ' ' VAL . 96.3 mt -64.12 -44.95 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 111.259 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.0 mt -67.07 -25.3 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.542 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.555 ' HG3' ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -65.05 -43.23 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.36 0.6 . . . . 0.0 110.608 -179.179 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.555 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -84.36 -13.55 11.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.963 -179.233 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -127.04 35.1 4.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.89 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.99 -26.62 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -99.31 131.0 45.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.3 -60.69 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.514 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -75.92 98.59 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.3 mm -102.02 104.59 37.09 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.738 179.823 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.8 Cg_endo -62.64 116.59 3.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.318 2.012 . . . . 0.0 112.234 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.09 152.0 47.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.527 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.485 HD23 HG23 ' A' ' 168' ' ' VAL . 12.5 tp -153.73 119.99 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.675 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.6 p -97.24 140.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.502 -179.191 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.528 HG21 ' HB ' ' A' ' 168' ' ' VAL . 37.4 t -146.5 146.54 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.042 179.857 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.19 115.48 3.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.116 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.98 -166.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.613 ' HB3' HG12 ' A' ' 95' ' ' ILE . 1.1 tppp? 68.09 11.39 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.5 t -58.73 -13.36 5.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.33 -13.11 6.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.017 0.437 . . . . 0.0 110.516 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 135' ' ' ARG . 22.9 mt -120.66 86.62 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.616 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.461 ' HG2' HH22 ' A' ' 136' ' ' ARG . 36.1 mt-10 -72.78 -29.04 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.206 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.32 -23.23 37.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.365 -179.57 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.5 mtt180 -101.27 12.11 38.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.269 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.511 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.8 ttm105 -76.41 108.04 9.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 0.0 110.322 179.507 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -83.7 -31.86 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.612 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -97.89 108.33 45.57 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.497 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.78 133.81 53.37 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.226 1.951 . . . . 0.0 111.409 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.7 p -52.0 -46.28 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.57 -48.71 74.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.129 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.51 -31.47 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.85 64.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.3 mtt180 -77.0 -39.23 51.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.185 -179.779 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.5 t -63.83 -41.1 97.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -46.76 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.675 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.29 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.92 -179.464 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.49 -32.35 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -52.41 -38.69 59.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -67.43 -26.77 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.19 28.02 4.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.66 175.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.663 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.49 128.37 55.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.707 179.031 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG22 ' A' ' 125' ' ' VAL . 38.0 t80 -95.68 142.85 27.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.211 0.529 . . . . 0.0 111.798 -179.188 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.15 150.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.78 144.21 26.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.6 p -150.38 173.26 14.21 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.535 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.4 p -136.71 110.79 8.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.31 6.58 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.521 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -99.75 -47.33 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.81 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.9 p -92.46 -0.7 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 35.25 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.763 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.05 -55.2 5.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.649 -179.567 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.7 p30 -111.11 23.54 13.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.933 -179.452 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 168' ' ' VAL . 3.9 p -68.68 -37.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.99 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.16 -14.97 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 46.5 tptt -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.747 -179.393 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.809 HG21 HD21 ' A' ' 90' ' ' LEU . 14.4 p -81.61 -29.23 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.102 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -73.78 -46.76 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -68.89 -43.48 75.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.216 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.8 -52.69 64.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.49 -32.63 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.3 ttm -59.05 -42.77 91.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.73 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.47 -39.94 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.19 -47.15 87.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.669 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.502 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 77.0 mt -58.38 -32.57 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.434 HH11 HD23 ' A' ' 57' ' ' LEU . 82.9 mtp180 -73.7 -53.33 10.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.606 -179.614 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -88.05 -58.81 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -178.631 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -61.84 -54.55 40.63 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.651 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 13.6 tmtt? -60.45 -44.72 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.818 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.2 mmt -75.64 -12.91 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.647 0.261 . . . . 0.0 111.564 -179.317 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 179.82 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 162.09 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.755 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -128.46 114.99 17.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.231 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -116.0 142.74 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.367 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 62.9 mttp -119.66 103.18 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.493 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -95.47 124.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.669 179.616 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mm -108.11 126.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.578 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.2 mmm -78.05 90.7 4.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.398 179.397 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -95.44 156.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -171.22 -160.22 19.25 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 -179.819 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 104' ' ' THR . 77.4 p -62.04 -48.57 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.543 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.79 31.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.409 -179.885 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.67 37.39 0.02 OUTLIER Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.726 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 93' ' ' PHE . 7.0 t -94.67 -57.97 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.639 0.257 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.98 41.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -49.93 -35.72 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.248 0.547 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.2 p -82.3 -28.44 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.17 -52.88 63.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.507 -178.431 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -64.88 -24.82 67.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.369 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 28' ' ' SER . 95.6 m -69.27 -44.17 72.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.552 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.96 -33.14 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.361 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.5 mm100 -73.09 -29.53 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.4 -179.706 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.88 -48.08 40.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.9 ttm -82.21 -49.7 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.507 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.19 -22.23 27.08 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.271 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.4 m-20 56.95 27.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.493 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.3 150.4 45.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.26 -179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 78.7 t80 -99.87 105.59 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.34 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.12 143.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.551 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.34 104.0 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.779 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -148.37 146.72 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -132.1 102.41 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -109.84 108.73 59.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.38 147.3 57.53 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.369 2.046 . . . . 0.0 112.326 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -74.34 97.18 2.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.693 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -90.74 31.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.754 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.18 13.65 8.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.267 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.1 128.59 42.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -108.89 156.54 19.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 -179.724 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -97.1 153.42 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -150.14 134.03 16.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -153.96 137.85 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.768 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -79.11 121.25 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.85 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -128.84 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.62 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.0 p -83.92 143.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HG2' ' A' ' 174' ' ' ARG . 64.3 tp -144.3 107.81 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 56.48 31.06 18.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.53 -29.68 11.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.532 ' HB3' HH12 ' A' ' 177' ' ' ARG . 10.0 tp10 -93.7 113.65 25.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.6 tt0 -83.57 116.94 22.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.4 147.73 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.45 140.39 32.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.61 137.21 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.018 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 17.0 t70 -117.54 114.22 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.23 133.97 57.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.317 -179.584 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -144.76 114.38 7.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.635 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.2 157.98 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.8 p -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.02 -174.75 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.394 179.921 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 57.2 mt . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -58.04 -37.09 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -57.62 -34.57 69.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.463 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -69.32 -48.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.43 -20.59 46.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.311 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -79.93 -32.98 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.6 t -82.55 -3.22 55.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.26 153.79 16.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.582 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.47 -54.23 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.679 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.15 160.93 25.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.498 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -136.28 140.72 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -130.77 104.03 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.0 tp -82.46 129.23 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.795 -179.748 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.36 133.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.727 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.593 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.4 p90 -138.22 160.3 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.478 178.786 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.487 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.3 m -98.73 129.2 45.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 111.175 -179.621 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.469 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.9 pt -62.73 -33.17 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.525 HG21 HD12 ' A' ' 132' ' ' LEU . 72.9 p -70.28 -21.04 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.295 179.351 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -114.37 92.2 3.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.549 179.613 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.19 -15.84 49.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.01 -26.7 61.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.43 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 20.1 m -73.34 -46.96 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.0 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -50.92 -43.59 59.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.377 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.4 -54.05 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -179.13 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -39.68 73.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.64 ' HB ' HD21 ' A' ' 91' ' ' LEU . 18.3 p -61.18 -31.43 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.56 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.62 81.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.292 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 0.7 OUTLIER -66.46 -41.15 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.56 -25.64 66.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -51.87 -49.32 63.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.08 -36.99 72.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 9.2 mm-40 -60.06 -33.3 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.99 -37.32 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.212 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.53 -25.57 65.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.699 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 63.5 mtp180 -50.42 -50.54 51.69 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.741 -179.413 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -71.65 -41.03 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.766 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -94.3 39.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.828 -179.82 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.38 -21.85 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -97.52 -13.9 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.959 -179.79 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.4 tp10 -96.8 149.5 21.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -99.93 -52.52 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -74.39 108.78 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.8 mm -116.29 103.44 53.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.679 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.8 Cg_endo -69.99 119.92 6.77 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.335 2.023 . . . . 0.0 112.176 179.829 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -138.75 162.42 34.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 -179.791 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 39.2 tp -167.14 118.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.576 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -93.27 141.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.396 -179.437 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 168' ' ' VAL . 42.1 t -143.43 143.19 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.929 -179.572 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.27 121.53 5.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.327 179.855 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -91.72 -166.11 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.795 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.437 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.4 mmtt 61.69 14.64 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.369 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -59.8 -15.14 18.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.91 -8.92 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.454 179.516 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 96' ' ' THR . 42.2 mt -119.92 83.8 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.453 ' HG2' HH22 ' A' ' 136' ' ' ARG . 45.7 mt-10 -72.86 -36.05 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.58 -9.71 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.474 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HD3' HD13 ' A' ' 132' ' ' LEU . 73.5 mtp180 -114.16 -2.81 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.299 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.7 ttm180 -65.25 108.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -82.36 -33.46 28.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.421 -179.516 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.43 112.07 64.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.277 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 132.92 44.82 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.076 1.851 . . . . 0.0 111.549 179.249 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -53.34 -43.32 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.102 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.0 -47.73 80.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.99 -38.59 91.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.83 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.287 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.5 mtt180 -63.44 -51.76 64.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.362 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -55.57 -42.61 74.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -63.29 -48.56 77.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -57.09 -47.94 79.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.545 -179.323 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.86 -31.79 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.69 -48.79 63.35 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.767 0.318 . . . . 0.0 111.02 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -72.23 -16.57 61.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.95 19.08 18.2 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 -179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.41 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.5 m -119.02 175.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.065 0.46 . . . . 0.0 111.374 -179.677 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -119.72 130.81 55.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.735 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.576 ' HD1' HG22 ' A' ' 125' ' ' VAL . 37.1 t80 -94.8 135.77 35.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.062 0.458 . . . . 0.0 111.188 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.2 153.8 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -89.78 142.69 27.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.475 179.556 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 164' ' ' ASN . 46.6 p -147.67 164.48 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.078 0.466 . . . . 0.0 111.518 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.5 m -140.3 111.43 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.313 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.73 -1.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.487 -179.686 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -99.3 -36.24 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.929 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.8 p -98.47 -5.72 31.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.51 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.21 39.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.424 0.452 . . . . 0.0 111.904 -179.986 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.19 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.202 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -111.5 7.0 20.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.046 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.2 p -61.47 -41.81 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.76 -21.6 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.081 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -70.14 -31.51 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.871 -179.234 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.1 m -74.3 -29.07 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.694 0.283 . . . . 0.0 111.528 -179.1 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.58 -45.61 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.44 -34.96 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.84 -53.36 58.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 54.4 tp -64.12 -33.94 76.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.6 ttm -56.75 -44.95 82.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.1 mtp180 -64.46 -34.28 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.787 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -71.52 -30.89 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.574 -179.586 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.3 mt -69.68 -45.08 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 111.28 -179.808 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.532 HH12 ' HB3' ' A' ' 60' ' ' GLU . 13.0 ptm180 -74.46 -29.33 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.715 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.0 m -87.98 -59.59 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 182' ' ' SER . 82.5 tttt -70.51 -54.15 13.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.788 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -54.6 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.461 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -58.86 -12.9 4.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.742 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 40.2 m . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.009 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.27 33.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -129.04 106.62 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -104.16 152.42 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -116.78 145.71 43.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.67 124.32 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.247 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.47 106.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.612 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.2 tpt -67.75 98.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.637 -179.695 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.0 p -117.17 153.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 164.92 85.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.964 -179.788 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.6 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.76 0.314 . . . . 0.0 111.339 179.449 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.04 -63.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.283 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.21 70.01 0.21 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.101 179.693 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -114.8 -56.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.687 0.28 . . . . 0.0 111.316 -179.574 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.16 37.04 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.236 -179.84 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.612 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 30.2 mtmm -54.32 -39.76 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.771 0.319 . . . . 0.0 111.263 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 83.8 p -62.74 -29.91 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.62 -52.45 57.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.827 -179.074 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -58.52 -24.93 61.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.258 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 34.1 m -73.84 -45.28 52.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.735 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.0 -30.23 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -71.41 -36.11 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.758 -179.355 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.45 -31.23 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.187 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.8 ttm -82.25 -49.43 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.292 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -100.45 -10.65 20.9 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.136 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.2 m-20 55.34 32.07 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.571 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.35 155.48 42.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.573 -179.487 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 52.0 t80 -95.83 109.45 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -133.31 139.68 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -86.57 120.0 27.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -164.83 165.37 20.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -140.04 125.93 19.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -139.15 103.85 7.31 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.65 146.69 92.65 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.348 2.032 . . . . 0.0 112.429 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -77.91 119.58 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -129.35 62.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.8 15.26 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.327 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -105.74 129.66 53.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -119.21 164.23 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -94.57 156.05 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -146.02 137.22 24.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.143 0.496 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -166.67 167.92 14.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.524 179.435 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' HB2' ' HG3' ' A' ' 63' ' ' GLN . 1.7 ttpt -129.48 133.72 47.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.884 0.374 . . . . 0.0 110.987 -179.126 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.98 154.4 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -72.14 145.62 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.78 100.56 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.1 31.3 16.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.448 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.44 -35.1 4.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.171 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 8.3 tp10 -83.81 114.0 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.401 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -78.17 114.88 17.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.22 145.04 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 54' ' ' LYS . 57.6 mt-30 -85.43 169.78 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.89 136.15 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -125.63 114.58 18.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.78 138.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 111.648 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.3 tp -135.26 129.47 33.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.71 165.63 15.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.6 p -130.6 -17.06 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.24 -173.06 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.256 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.786 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -52.49 -45.92 66.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -55.03 -38.64 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.47 -38.71 78.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.498 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -70.43 -29.61 66.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -81.51 -16.29 52.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.247 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -80.03 -47.81 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.034 -179.762 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.0 m -75.41 -0.31 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.53 155.94 18.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.809 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -108.75 -41.48 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.534 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.36 153.85 17.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -129.82 136.33 49.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -133.71 107.68 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.517 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.767 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -83.02 137.15 34.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.033 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 126' ' ' VAL . 39.8 t -141.0 110.44 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.668 -179.821 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.2 p90 -118.72 152.22 36.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.706 0.289 . . . . 0.0 110.454 178.725 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 17.4 t -92.05 141.35 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.0 pt -77.35 -28.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 132' ' ' LEU . 77.8 p -73.94 -18.47 60.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.751 179.692 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -120.63 102.51 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.87 -16.39 58.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -26.92 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.807 -179.559 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 m -69.11 -53.88 17.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.259 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.52 -36.39 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.225 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.8 p -73.01 -53.85 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.012 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.04 79.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.767 ' HB ' HD21 ' A' ' 91' ' ' LEU . 11.3 p -59.32 -33.19 70.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.041 179.699 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.91 86.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.251 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 13.9 mm-40 -61.94 -48.35 80.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -55.07 -29.01 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.729 -179.45 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -53.03 -49.28 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.29 -26.92 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.404 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.6 mt-30 -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.322 -179.444 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.23 -41.29 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.54 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -25.79 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.018 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 5.1 mmp_? -50.59 -50.55 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.188 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.64 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.5 m -69.68 -29.52 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.787 -179.36 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.64 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.0 mmtt -109.06 39.25 2.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.43 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.749 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.42 -36.28 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 1.9 mp0 -72.81 163.16 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -114.13 -56.04 2.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 13.5 mptt -72.06 111.5 7.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.713 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 36.7 mm -121.98 116.15 30.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.534 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.6 Cg_endo -75.57 123.65 7.72 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.34 2.027 . . . . 0.0 112.273 179.641 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -146.43 151.09 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.4 -179.769 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.4 tp -156.11 118.91 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.391 179.149 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.625 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -96.34 143.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.615 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 92' ' ' VAL . 3.1 p -144.73 159.65 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -128.58 111.24 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.051 179.66 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 94' ' ' SER . 28.3 p-10 -83.3 -165.64 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.506 -179.411 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' O ' HD11 ' A' ' 95' ' ' ILE . 29.8 mmtp 59.22 15.96 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -58.59 -19.54 39.32 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.72 -17.57 16.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.633 179.728 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.617 HD13 ' HD2' ' A' ' 135' ' ' ARG . 56.3 mt -108.14 86.01 2.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -72.6 -29.48 63.54 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.508 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.61 -22.2 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.517 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -99.19 5.8 46.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.7 ttm180 -78.6 109.27 12.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -92.47 -21.53 20.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.489 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 78.7 t -96.09 102.51 10.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.424 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 22.1 Cg_endo -61.33 128.6 25.44 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.137 1.891 . . . . 0.0 111.178 179.104 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -52.7 -43.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.75 -179.211 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 8.1 pt-20 -54.77 -41.45 70.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -179.494 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -75.33 -33.81 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.22 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.347 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 47.7 mtt180 -74.8 -43.01 56.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.4 t -57.53 -44.18 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.55 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.8 tmmm? -74.13 -47.96 32.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -54.49 -30.45 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.46 -31.79 72.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -50.93 -48.12 60.85 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.55 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.1 m0 -64.54 -24.31 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.673 179.69 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.63 15.34 15.46 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.253 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 123' ' ' LEU . 19.2 m -121.03 167.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.478 . . . . 0.0 112.111 -179.588 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -107.3 131.87 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.025 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.625 ' HD1' HG22 ' A' ' 125' ' ' VAL . 23.0 t80 -96.83 143.21 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.935 0.398 . . . . 0.0 111.145 -179.796 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.12 154.51 23.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -89.62 148.36 23.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.5 p -153.01 165.19 36.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.7 m -133.77 111.54 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.513 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.42 -1.87 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.015 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.35 -41.25 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 72.9 p -96.92 -4.27 40.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.971 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.89 38.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.161 179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.19 -55.58 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.818 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -108.65 14.75 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.666 -179.388 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.545 HG23 HD12 ' A' ' 30' ' ' LEU . 7.7 p -64.56 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.833 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.15 -14.34 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.609 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -60.89 -38.8 86.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.365 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.89 -26.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.894 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.89 -48.49 24.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.364 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.74 -49.67 37.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.884 -179.558 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.01 -45.69 79.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.26 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 tp -69.32 -40.04 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.143 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.4 ttp -57.4 -39.98 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.5 -34.81 78.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.729 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -66.91 -25.95 66.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -179.834 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.6 mt -71.58 -54.19 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.8 ptm180 -65.45 -28.73 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.928 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 99.5 m -88.41 -60.46 1.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.157 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.0 tttp -71.81 -54.8 9.01 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.086 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.0 tttm -61.15 -48.06 83.36 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.372 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.4 mmt -63.0 -17.48 62.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.391 -179.499 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.822 -179.998 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.74 138.9 48.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.6 tt -116.51 112.29 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.64 150.88 24.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.8 125.02 42.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.991 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.14 140.42 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.398 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.543 HD11 ' HA3' ' A' ' 86' ' ' GLY . 27.2 mm -103.95 109.18 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.954 179.708 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.622 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 3.4 tpt -65.52 92.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 179.762 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.5 p -102.14 161.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.335 -179.526 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.65 -156.63 19.41 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.268 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 25' ' ' VAL . 32.1 t -66.77 -62.07 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.397 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -34.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.326 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.37 43.97 1.17 Allowed Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 93' ' ' PHE . 73.2 t -93.88 -62.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.52 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.251 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 45.3 mtmt -52.72 -35.61 56.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.508 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.7 p -71.92 -30.03 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.96 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -52.47 65.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.726 -179.415 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -61.72 -25.0 67.16 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.211 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 28' ' ' SER . 57.3 m -71.91 -41.5 67.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.09 -45.45 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.74 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.6 mm100 -56.58 -35.23 67.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -72.92 -25.69 61.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.799 0.333 . . . . 0.0 111.173 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 tpp -82.05 -49.61 10.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.466 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.98 -8.27 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.082 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.92 29.78 19.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.608 -179.605 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -147.31 142.12 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.023 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -89.94 108.3 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -131.99 136.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.91 94.71 0.23 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -131.8 152.55 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -146.01 112.91 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.903 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.27 104.34 14.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 139.87 76.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.469 2.113 . . . . 0.0 112.41 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -96.88 129.3 44.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -114.72 -56.39 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.699 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -166.98 -6.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' H ' ' A' ' 48' ' ' ALA . 6.3 p-10 -80.96 135.79 35.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 m -112.08 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 29.1 m-85 -112.84 150.27 31.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.749 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.93 135.32 35.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -146.31 150.04 34.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.051 -179.474 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.87 126.47 44.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.05 150.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.17 134.0 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.7 tp -130.21 101.34 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.25 31.2 18.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.48 -35.46 5.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.565 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -87.73 114.23 24.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.84 116.83 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.68 148.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 81.8 mt-30 -81.18 141.51 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.796 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 tt -114.12 139.81 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.994 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 17.1 t70 -125.94 119.67 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.815 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 31' ' ' THR . 70.9 mt -114.01 126.47 71.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.21 116.41 24.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.66 125.51 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 p -100.78 -25.25 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.02 -169.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.979 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -54.94 -33.87 62.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.248 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.49 -38.67 63.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 -179.707 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.23 -34.95 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.377 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.281 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 114' ' ' VAL . 76.2 m-85 -74.54 -13.36 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -84.27 -6.75 59.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.327 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -101.62 11.73 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.543 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.47 -179.19 18.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.699 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -125.81 -40.73 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.14 162.86 21.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.701 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -136.43 132.19 35.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 168' ' ' VAL . 2.1 tt -123.94 105.9 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -82.89 134.3 35.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' A' ' 126' ' ' VAL . 94.7 t -139.78 139.4 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 111.899 -179.926 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.3 p90 -149.02 163.51 37.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -101.49 144.05 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 179.656 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 129' ' ' LYS . 29.0 pt -75.69 -32.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.751 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 39.5 p -70.53 -13.57 62.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.793 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -124.62 98.17 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.89 -16.23 58.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.91 -26.04 62.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.227 0.537 . . . . 0.0 110.22 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.51 -53.85 20.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.759 -179.428 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.29 -35.07 67.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.0 p -72.54 -53.55 11.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.832 -179.622 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.27 80.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.3 p -58.04 -31.64 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.92 65.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -66.35 -44.1 84.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 179.662 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -62.86 -25.15 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -48.81 -45.96 41.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.46 -39.4 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.41 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 55.8 mt-30 -59.76 -27.38 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.078 0.466 . . . . 0.0 110.703 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.45 -45.34 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.72 -26.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.527 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 36.5 mtp180 -52.36 -50.63 61.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 83' ' ' PHE . 16.8 m -73.93 -41.79 53.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.752 -179.37 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -96.21 43.97 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.24 -179.665 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.48 -0.34 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -105.25 -36.94 7.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -82.39 143.78 30.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -80.69 -59.88 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -77.62 122.52 25.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.751 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.0 104.0 51.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.94 113.32 1.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.317 2.011 . . . . 0.0 112.298 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.9 tp -139.01 150.92 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 tp -157.46 120.14 3.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.646 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -88.24 140.43 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.413 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.513 HG11 HG11 ' A' ' 168' ' ' VAL . 60.7 t -141.79 147.82 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.429 -179.511 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -131.42 114.35 1.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.063 179.794 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -90.51 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.626 0.251 . . . . 0.0 110.546 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.574 ' HB3' HG12 ' A' ' 95' ' ' ILE . 12.0 tptm 65.92 9.77 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.39 -9.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.533 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.52 -5.85 12.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.967 0.413 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 135' ' ' ARG . 25.7 mt -124.37 88.26 2.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.97 -36.62 67.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.8 pt-20 -70.71 -20.79 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -179.645 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.564 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.6 mtt180 -105.61 4.55 30.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.24 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -75.73 108.35 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.465 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.07 -32.28 20.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.098 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.0 t -96.09 102.64 11.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.57 135.75 50.82 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.045 1.83 . . . . 0.0 111.287 179.338 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -50.04 -42.43 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.494 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.45 -47.06 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.686 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.031 -179.832 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.71 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.252 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtt180 -75.74 -35.46 60.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.231 -179.607 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -65.72 -51.64 57.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.401 -179.576 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -45.07 85.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.59 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.646 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.78 -179.543 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -51.98 -32.56 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.251 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -53.29 -42.38 66.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 110.806 179.606 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -67.28 -22.3 65.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.735 179.842 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.74 33.8 4.6 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.19 -176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.15 0.5 . . . . 0.0 111.463 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -125.43 133.77 52.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.477 178.858 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.565 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -95.12 139.02 32.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.081 0.467 . . . . 0.0 111.717 -178.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.14 154.16 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.91 146.98 24.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.044 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 37.2 p -148.46 167.21 25.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.204 0.526 . . . . 0.0 112.075 -179.026 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 p -149.02 109.44 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.386 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.17 1.34 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.519 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -98.4 -48.27 5.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.9 p -96.15 2.2 52.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.247 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? 33.2 45.63 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.004 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -55.94 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.963 -179.538 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -111.73 13.84 21.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.62 -179.398 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.7 p -60.79 -40.85 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.661 0.267 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.99 -30.84 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 179.434 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -55.08 -32.9 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.92 -179.355 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.2 m -74.88 -33.46 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.299 . . . . 0.0 111.678 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -75.41 -42.27 54.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.813 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -71.89 -39.15 69.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.86 -46.87 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.09 -32.55 73.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.7 ttm -57.33 -42.09 81.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.999 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.68 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 17.5 mm-40 -60.14 -52.59 64.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 59.6 mt -57.39 -31.95 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 1.4 mmp_? -70.44 -60.62 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.4 m -86.27 -59.12 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.562 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 57.0 tttp -57.81 -54.02 51.67 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.718 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 2.0 tmtp? -63.46 -49.99 71.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.578 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.3 mmt -71.33 -12.48 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.61 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 0.0 110.509 179.652 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.853 0.359 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.91 171.17 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -138.51 103.43 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -104.37 121.03 42.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -102.91 111.39 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.243 -179.638 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.33 132.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.562 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.6 mm -104.86 115.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.545 -179.558 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -72.03 88.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.016 179.494 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -95.84 155.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.56 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.23 -159.41 21.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.121 -179.7 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 87.9 p -68.36 -42.17 79.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.82 32.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.477 -179.763 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.13 47.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' OG ' ' A' ' 22' ' ' SER . 22.7 t -106.29 -53.29 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 111.025 179.873 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.74 34.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 89.4 mttt -46.67 -44.2 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 94.0 p -74.07 -29.39 61.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.318 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.48 -52.44 65.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.936 -179.118 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.655 HD12 HG23 ' A' ' 165' ' ' VAL . 2.9 mm? -64.02 -25.28 68.05 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.206 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 91.5 m -68.75 -43.16 76.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.19 -35.86 71.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.678 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.2 mm100 -67.1 -29.7 69.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.079 -179.668 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.45 -50.46 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.945 -179.824 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttm -82.09 -50.04 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.165 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.06 -25.45 24.18 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.3 t70 57.96 33.37 23.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.183 0.516 . . . . 0.0 109.978 -179.32 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.55 131.57 17.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.68 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -75.43 106.66 7.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.65 154.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.599 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.17 -90.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 47.11 89.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 111.502 -179.864 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -110.82 152.18 26.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -156.63 131.82 5.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.6 128.74 17.6 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.505 2.137 . . . . 0.0 112.126 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 m -67.82 121.99 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.022 -179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -124.05 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.12 -11.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.47 129.08 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.113 -179.783 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 p -122.06 161.41 23.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -93.79 157.63 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -142.46 139.8 31.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.638 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -157.07 143.81 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.013 -179.829 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 98.0 mttt -103.31 118.67 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.92 146.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.1 p -72.72 139.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.793 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD11 ' HG2' ' A' ' 174' ' ' ARG . 60.7 tp -131.02 99.03 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 56.41 30.74 17.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.69 -39.81 2.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.791 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.23 115.67 28.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 tt0 -73.16 127.12 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.288 -179.82 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 161.35 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.79 179.509 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 20.5 mt-30 -97.61 157.23 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 tt -131.55 137.83 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -119.95 117.18 27.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG21 HG23 ' A' ' 31' ' ' THR . 67.3 mt -116.49 133.5 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.594 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.83 134.04 52.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 179.488 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -50.76 -39.65 52.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.454 HG23 ' HB3' ' A' ' 67' ' ' LEU . 74.9 p 48.99 94.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.826 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.44 168.66 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 179.707 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.438 179.831 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.65 0.262 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -58.84 -29.86 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.15 -31.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.65 -34.78 67.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.397 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -74.67 -35.54 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.7 -23.44 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.823 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -80.71 -29.72 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.0 m -85.33 -3.32 58.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -118.61 165.26 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.605 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -112.25 -52.85 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.39 159.23 33.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.524 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -137.83 133.04 33.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.6 mt -127.6 105.05 8.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 179.618 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.8 123.27 29.19 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.161 179.601 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 126' ' ' VAL . 39.4 t -126.75 130.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.939 -179.164 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -147.15 149.96 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.243 178.57 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -90.71 154.27 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.622 HG12 ' HB3' ' A' ' 129' ' ' LYS . 23.7 pt -78.34 -37.73 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.294 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.423 ' N ' HG13 ' A' ' 95' ' ' ILE . 40.4 p -65.26 -22.82 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.404 -179.773 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.25 95.25 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.22 -16.15 59.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.405 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -73.32 -27.3 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -178.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 80.6 p -70.22 -53.46 16.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.17 -38.3 57.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 69.7 p -72.25 -53.61 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.806 -179.393 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.0 -39.56 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.62 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.6 p -57.94 -31.95 67.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.305 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.824 179.68 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.86 -44.34 90.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 179.801 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -58.84 -27.38 65.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -55.83 -44.35 77.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 179.637 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.93 -36.58 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.496 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 58.1 mm-40 -59.82 -28.66 67.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.049 0.452 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.19 -41.81 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.98 -26.45 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.954 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.3 mmm180 -50.52 -50.63 52.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.809 0.337 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' A' ' 115' ' ' LYS . 15.1 m -70.57 -21.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.545 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -110.63 45.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.614 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.54 -37.53 27.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.08 -39.23 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 63.45 141.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.621 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' ' 120' ' ' LYS . 23.0 t70 -172.11 -60.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 179.847 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 73.1 mmtt -145.41 93.85 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mm -99.85 103.8 24.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.434 -179.183 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 96.8 Cg_endo -81.59 123.41 4.28 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.377 2.051 . . . . 0.0 112.128 179.427 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 61.9 tp -142.45 160.42 40.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 111.332 -179.571 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 90' ' ' LEU . 52.5 tp -161.65 131.83 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.202 179.235 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.9 p -107.25 144.33 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 112.044 -178.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.524 ' HB ' HG11 ' A' ' 168' ' ' VAL . 3.5 p -139.58 152.01 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.7 104.34 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.817 179.549 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 157' ' ' THR . 28.1 p-10 -83.67 -167.4 1.7 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.261 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.622 ' HB3' HG12 ' A' ' 95' ' ' ILE . 35.4 tptt 67.27 9.52 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.404 ' HA ' HH21 ' A' ' 136' ' ' ARG . 46.8 t -59.66 -12.12 6.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.469 -179.468 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -12.8 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.594 179.715 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 35.9 mt -118.13 88.27 2.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.73 -32.19 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.355 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.22 -14.15 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 29.0 mtp180 -109.72 11.61 24.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.162 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.5 ttm105 -75.77 111.48 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 0.0 110.723 179.839 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -89.98 -20.31 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.18 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.01 99.49 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.355 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 18.4 Cg_endo -59.86 135.25 62.13 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.193 1.929 . . . . 0.0 111.373 179.078 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.56 -43.54 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.741 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.8 -49.4 71.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.499 -179.541 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.439 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 43.8 tt0 -68.28 -31.49 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.37 -28.89 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.449 -179.75 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.4 mtt180 -76.21 -38.34 56.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.0 t -64.09 -36.18 83.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.506 -179.332 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -45.7 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.878 -179.565 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.29 -39.44 94.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.6 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.73 -32.84 63.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -52.47 -46.03 66.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.02 -28.77 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.83 30.32 3.27 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.478 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.6 165.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.462 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -106.99 127.36 53.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.503 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.6 t80 -94.96 143.1 26.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.88 153.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.58 -179.744 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.84 138.69 31.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.287 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 164' ' ' ASN . 73.9 p -145.97 168.25 21.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.401 . . . . 0.0 111.444 -179.408 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -132.26 110.43 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.455 179.548 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.15 0.39 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.519 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -99.83 -41.89 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.2 p -91.22 -3.69 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 36.13 38.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.976 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.8 -56.04 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.869 -179.458 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.711 ' HB2' HG22 ' A' ' 157' ' ' THR . 62.9 m-20 -112.12 20.4 16.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.578 -179.45 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 30' ' ' LEU . 6.9 p -67.37 -40.48 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.627 0.251 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.65 -14.78 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.363 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 20.1 ttmm -59.54 -37.3 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.524 HG11 ' HB ' ' A' ' 126' ' ' VAL . 25.1 m -75.72 -26.77 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.418 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -74.01 -48.48 29.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.29 -40.67 67.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.753 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.37 -51.82 67.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.7 tp -67.92 -33.18 74.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.8 ttm -54.11 -51.48 64.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.819 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.418 ' HG2' HD11 ' A' ' 57' ' ' LEU . 99.5 mtt180 -65.12 -34.51 78.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.68 -31.06 71.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 80.9 mt -72.78 -55.12 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.388 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.28 -26.39 68.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.045 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.3 m -87.91 -59.79 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.304 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 81.5 tttt -71.21 -54.23 11.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.144 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 53.7 tptt -59.0 -55.68 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.0 mmt -63.04 -16.51 60.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.689 -179.344 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.0 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.671 0.272 . . . . 0.0 110.974 -179.763 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 159.5 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.2 tt -136.26 119.61 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 -179.899 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -107.87 151.97 25.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 54.3 mttp -129.81 110.27 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.539 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 66' ' ' ILE . 7.6 p -104.49 126.88 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.602 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -108.44 114.63 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.253 -179.834 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.59 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 91.3 mmm -65.95 91.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.6 p -100.72 166.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -179.731 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.1 -151.96 10.73 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 104' ' ' THR . 58.9 p -72.64 -37.37 68.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.105 0.479 . . . . 0.0 110.474 179.812 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.48 -28.0 3.18 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.034 -179.724 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.87 74.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.299 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.4 t -134.94 -48.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.739 0.304 . . . . 0.0 111.256 -179.695 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.51 44.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.759 179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 16.9 ptpt -55.01 -25.17 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 179.769 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -82.75 -29.39 29.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.3 -52.2 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.025 -178.693 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -62.54 -24.7 67.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.315 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 28' ' ' SER . 51.2 m -70.61 -45.67 64.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -70.08 -29.43 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.66 -179.25 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HB2' HG11 ' A' ' 165' ' ' VAL . 12.7 mm100 -74.84 -37.94 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.03 -40.56 65.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.549 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 68.4 mtp -82.23 -50.06 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -178.332 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -103.04 -24.41 13.63 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.8 m-20 62.3 35.54 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.061 -179.132 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.85 131.39 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.603 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.51 111.71 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 42' ' ' ASP . 18.9 t -125.84 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.8 -23.07 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.295 -179.674 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.701 ' H ' HG12 ' A' ' 40' ' ' VAL . 20.4 t70 -66.03 156.59 33.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.278 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -157.81 149.52 21.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 42.9 mt-10 -128.39 147.18 62.78 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 8.0 Cg_exo -72.12 157.96 53.1 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.772 2.315 . . . . 0.0 112.191 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 48' ' ' ALA . 62.4 m -83.11 110.88 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -88.36 35.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 46' ' ' THR . . . 64.15 11.83 6.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.261 -179.857 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.61 128.38 45.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.8 m -94.8 158.49 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 12.7 m-85 -100.14 142.59 31.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.3 179.727 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 37.0 ttm180 -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.208 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.2 164.9 37.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -93.01 124.72 37.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.81 150.16 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.317 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 36.3 t -97.16 143.64 12.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 tp -143.3 108.31 4.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 54.67 30.87 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.0 -39.36 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.598 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.33 115.92 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.9 tt0 -84.9 115.81 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.684 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.89 154.68 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.538 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt-30 -89.38 143.71 26.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 17.2 tt -113.82 145.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.605 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.6 t70 -129.18 121.23 27.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.975 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.401 HG12 HG13 ' A' ' 17' ' ' VAL . 97.8 mt -119.63 140.13 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -143.51 122.42 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.1 144.2 25.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.9 p -108.31 -40.56 5.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.97 -172.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.236 179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.445 179.801 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.7 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -60.26 -48.13 83.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.25 -35.0 77.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.35 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.61 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 4.4 m-20 -54.43 -35.94 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.547 -179.649 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -76.84 -38.48 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.274 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' HB2' HG11 ' A' ' 114' ' ' VAL . 38.7 m-85 -67.33 -19.76 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 79.8 mtm180 -72.56 -38.95 67.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.707 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.0 p -77.77 2.07 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.67 166.76 12.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 179.774 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.591 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 18.1 mm-40 -113.44 -69.98 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.571 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.75 158.56 32.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -124.7 143.02 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -126.94 104.69 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.581 HD11 ' HB ' ' A' ' 104' ' ' THR . 16.6 tp -82.46 127.61 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.735 -179.836 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.85 140.8 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.757 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.709 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.4 p90 -146.26 171.76 14.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.636 179.206 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 68.1 m -105.12 129.68 53.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 pt -63.55 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.7 t -86.15 -14.17 44.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 11.9 mm-40 -113.51 94.09 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.74 -16.76 59.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.55 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 m -75.64 -53.64 8.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.6 -179.125 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -52.35 -32.93 40.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -179.461 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.84 -54.53 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.721 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.87 -36.68 84.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.043 -179.552 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -53.02 -37.94 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.131 0.491 . . . . 0.0 110.53 179.56 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.95 -30.84 61.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.649 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.97 -30.72 67.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.44 -24.64 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.696 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' ILE . 31.9 mtp-105 -49.64 -37.4 28.12 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.865 0.365 . . . . 0.0 111.032 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.2 -36.9 82.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -71.02 -26.82 63.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 110.307 179.603 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' ARG . 91.9 mt -69.81 -37.39 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.07 -26.25 65.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -50.73 -51.59 48.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.79 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -65.35 -33.98 67.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.638 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -109.96 57.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.142 179.203 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.79 -41.31 32.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.589 -179.487 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.48 -48.18 74.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.916 0.388 . . . . 0.0 110.456 179.438 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 121' ' ' ILE . 38.9 tt0 54.92 97.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.665 179.665 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.21 -45.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.009 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.467 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 72.4 mmtt -148.16 77.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.129 179.394 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 118' ' ' GLU . 16.7 mm -81.39 108.45 10.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.798 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 87.0 Cg_endo -83.49 104.05 1.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.039 . . . . 0.0 112.22 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 41.5 tp -116.39 163.1 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.661 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 29.9 tp -158.63 121.22 3.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.165 179.772 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.927 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -99.69 139.78 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.12 0.486 . . . . 0.0 111.634 -179.109 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.555 HG11 HG11 ' A' ' 168' ' ' VAL . 11.8 t -144.31 150.38 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.29 179.581 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.87 124.55 5.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.608 -179.755 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.44 -164.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.451 ' HB3' HD12 ' A' ' 132' ' ' LEU . 34.4 mmtp 56.07 20.35 4.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.79 -179.744 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.3 m -61.23 -17.06 51.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -79.52 12.94 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 129' ' ' LYS . 36.7 mt -123.48 79.28 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.99 -20.07 61.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.317 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -91.56 -38.89 12.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.228 -179.729 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.6 mtt180 -81.93 2.14 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.386 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.3 ttm180 -64.61 107.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -91.16 -32.85 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.075 179.473 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.71 111.79 63.77 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.433 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.01 124.71 14.43 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 121.891 1.728 . . . . 0.0 111.546 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.8 p -49.78 -40.03 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.763 -179.589 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.23 -47.54 76.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.824 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.99 -30.42 67.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.93 -28.6 64.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.773 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.1 mtt180 -73.75 -34.79 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.191 -179.757 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -65.58 -46.3 79.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.338 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.452 ' NZ ' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.09 -46.34 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.638 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.927 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.97 -48.83 75.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.903 -179.303 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -50.95 -31.72 18.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.451 ' HG3' ' HE2' ' A' ' 146' ' ' LYS . 9.8 mm-40 -52.66 -42.06 64.37 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.628 0.251 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.452 ' NE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.6 m0 -71.62 9.49 0.84 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.7 75.02 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.623 179.726 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 150' ' ' TRP . 31.3 m -126.17 154.33 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.34 -179.915 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -95.35 128.73 42.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.801 178.951 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.603 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.1 t80 -95.11 128.32 41.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG13 ' A' ' 126' ' ' VAL . 7.4 p -121.94 154.35 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.539 -179.415 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.48 136.27 33.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 48.5 p -141.64 172.62 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.403 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 56.4 m -148.63 110.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.375 179.729 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.447 -179.6 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -99.26 -38.96 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 47.7 p -97.5 -4.12 38.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.569 -179.641 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.407 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 2.6 ppt_? 35.04 39.26 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.496 0.498 . . . . 0.0 111.866 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.12 4.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.211 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -112.03 10.02 20.41 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.246 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 168' ' ' VAL . 59.8 t -64.44 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.31 -14.48 61.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 179.405 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -76.97 -30.74 56.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.835 -179.222 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -72.88 -30.06 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.532 -179.273 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.84 -44.77 47.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -71.74 -30.52 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.259 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.54 -53.89 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.9 -32.06 73.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.692 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.16 -37.14 64.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.36 -37.0 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.72 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.688 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.521 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 62.5 mt -58.65 -32.27 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -73.53 -54.93 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.901 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.3 m -87.59 -59.33 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.679 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.4 tttp -57.44 -54.16 49.96 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.493 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.4 ttmm -64.38 -51.84 61.25 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.738 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 56.0 mtt -64.63 -13.46 53.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.674 -179.258 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 5.6 m . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 120.701 0.286 . . . . 0.0 110.744 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.59 171.72 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.233 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -139.51 106.58 5.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -105.64 152.68 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 94.3 mttt -127.89 131.49 49.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.57 132.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.375 . . . . 0.0 111.279 179.726 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -110.77 112.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 97.4 mmm -67.81 95.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.752 179.671 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.3 p -101.29 159.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.705 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -175.4 -160.54 23.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.699 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 26.1 t -61.1 -46.19 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.17 -6.31 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.382 -179.72 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.77 54.52 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.216 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 93' ' ' PHE . 52.5 t -114.6 -35.53 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.623 0.249 . . . . 0.0 111.4 -179.669 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.21 50.71 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.745 179.715 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.58 -35.6 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.109 0.481 . . . . 0.0 110.638 179.864 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.525 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -67.29 -29.05 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.137 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.15 -52.57 64.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.203 -178.893 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -62.13 -25.06 67.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.0 m -68.88 -48.58 63.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.565 -179.563 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.94 -30.73 67.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.622 -179.599 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' NE2' ' HB3' ' A' ' 162' ' ' ARG . 15.4 mm100 -71.93 -31.69 66.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.92 -39.22 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 179.717 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -82.59 -49.76 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.271 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 -26.3 12.23 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.137 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.63 30.7 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.084 0.469 . . . . 0.0 110.193 -179.325 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -134.89 127.45 30.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.379 -179.65 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.47 116.84 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.77 139.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.867 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.95 97.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -166.36 126.86 1.68 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -152.73 147.89 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -127.02 147.51 61.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.963 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_exo -58.12 150.59 64.42 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.572 2.181 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.1 m -94.79 104.73 16.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -102.87 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.783 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.38 3.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 48' ' ' ALA . 15.1 m-20 -76.19 127.84 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -111.62 162.12 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 45.7 m-85 -109.37 138.18 46.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.679 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -137.29 142.97 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -163.61 136.78 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -80.33 121.29 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.211 -179.749 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -137.27 138.07 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.7 p -81.87 144.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 111.329 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 HH11 ' A' ' 177' ' ' ARG . 55.6 tp -137.15 108.06 6.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.629 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 56.37 30.92 17.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.35 -36.89 3.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.436 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -85.92 116.31 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 34.6 tt0 -82.77 132.88 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -179.809 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.4 153.68 22.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -91.63 129.51 37.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 tt -105.54 137.45 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.8 t70 -121.98 113.6 19.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.395 179.621 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.28 140.7 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.659 -179.337 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -133.27 99.17 4.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.69 132.27 53.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 -179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.6 p -125.0 126.09 44.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.88 -166.18 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.254 179.757 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -66.55 -46.14 77.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.781 179.426 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.44 -30.82 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 7.2 t30 -52.41 -37.34 56.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.319 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -73.08 -39.76 65.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.661 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.3 m-85 -63.48 -26.59 68.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.566 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 76.9 mtm180 -83.63 -11.63 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.476 -179.671 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -84.38 -12.65 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.138 -179.628 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.21 161.83 22.0 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 33.8 mt-10 -100.75 -37.85 8.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.711 179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.631 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -95.23 157.5 22.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.298 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -132.09 142.92 49.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -134.1 105.88 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.744 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.88 134.79 35.07 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.43 139.61 41.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.497 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HA ' HG21 ' A' ' 25' ' ' VAL . 13.3 p90 -147.99 145.02 28.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.775 179.166 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HG13 ' A' ' 25' ' ' VAL . 28.7 t -83.01 145.19 29.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 23.9 pt -78.06 -33.81 18.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.658 179.623 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 22.7 p -66.55 -17.63 64.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.419 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -119.34 100.46 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.03 -17.02 61.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.0 -26.27 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 110.489 -179.619 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 35.1 m -66.24 -53.94 31.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.277 -179.503 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -56.57 -39.58 73.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.519 -179.806 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.7 p -72.65 -53.46 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -179.296 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.13 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.282 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.658 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.0 p -54.65 -31.05 56.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.496 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.03 80.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.027 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.5 -42.86 97.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.707 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.96 -27.74 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.327 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -48.66 -49.44 37.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.68 -40.33 73.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -58.13 -28.72 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.81 -26.53 66.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.38 -179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -60.46 -50.44 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.565 -179.611 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 83' ' ' PHE . 4.4 m -68.87 -17.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.65 -179.565 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.8 mmtt -125.07 38.69 4.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.788 179.811 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.62 -20.0 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.6 mm-40 -95.94 142.45 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.77 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.38 -64.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.757 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.7 111.22 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mm -113.21 106.67 54.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.631 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 45.0 Cg_endo -67.02 111.99 2.37 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 0.0 112.221 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.1 tp -127.69 152.51 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.446 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.6 tp -154.54 116.87 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.129 179.581 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.654 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -92.82 138.24 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.453 -179.244 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 168' ' ' VAL . 15.3 t -141.84 155.3 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -113.83 136.01 12.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.06 179.528 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -105.1 -179.38 3.93 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? 58.19 20.97 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -64.96 -8.21 14.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.29 -8.74 26.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.505 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.36 77.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -72.64 -20.06 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.4 pt-20 -82.24 -20.77 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.406 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 99.7 mtt180 -107.57 1.8 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.487 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.3 ttm180 -64.93 108.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -83.47 -32.82 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.235 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.63 108.26 26.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.02 125.36 15.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 121.986 1.79 . . . . 0.0 111.205 179.235 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.37 -42.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.546 -179.439 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.23 -49.24 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.387 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.54 -27.27 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.455 179.716 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.05 -28.76 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 66.5 mtm180 -77.31 -42.58 36.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.1 t -56.76 -47.62 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.374 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 1.5 tmmm? -66.57 -48.41 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.15 -38.4 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.564 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.69 -31.79 72.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.63 -39.53 50.65 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.828 0.346 . . . . 0.0 110.831 179.761 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.5 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 41.2 m0 -73.27 -27.88 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.56 18.17 8.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.088 -179.656 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.87 -175.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.074 0.464 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.87 129.79 51.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.281 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.654 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.8 t80 -94.82 143.43 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 111.25 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.49 155.03 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.15 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.29 147.16 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -150.49 149.75 30.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.985 0.421 . . . . 0.0 111.625 -179.508 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.9 m -115.79 110.03 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.46 179.609 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.83 -1.1 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.455 -179.815 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -96.52 -39.44 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.8 p -97.1 -6.1 35.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.499 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 6.4 ppt_? 34.83 39.2 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.863 -179.731 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -55.22 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.854 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -110.35 14.73 22.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.945 -179.005 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.61 -41.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.281 -179.806 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.44 -25.04 60.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.11 -31.49 68.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.72 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 126' ' ' VAL . 3.4 m -79.17 -29.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.672 0.272 . . . . 0.0 111.386 -179.567 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -73.06 -43.39 62.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.475 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.14 -41.01 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.735 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.84 -47.85 79.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 124' ' ' LEU . 58.0 tp -66.2 -34.96 79.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 52.4 ttm -57.54 -37.56 73.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.1 -34.71 76.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.12 -48.58 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.8 mt -57.89 -32.18 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.424 HH11 HD23 ' A' ' 57' ' ' LEU . 78.3 mtp180 -74.98 -50.82 15.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.945 -179.358 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.4 m -87.34 -58.9 2.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.488 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.75 -54.18 48.34 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.53 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.9 tttp -63.05 -56.03 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.44 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.49 -12.68 33.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 42.5 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.736 0.303 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.9 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.32 148.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -123.51 111.96 16.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -111.81 136.05 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 99.7 mttt -109.39 115.34 29.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.6 130.16 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -110.55 131.84 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.649 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 90.8 mmm -78.22 82.12 4.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.557 179.588 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.1 p -85.37 158.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 176.48 -161.13 29.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.823 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 104' ' ' THR . 59.8 p -63.54 -45.08 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.22 -45.11 0.88 Allowed Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.059 -179.658 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.19 86.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.138 -0.554 . . . . 0.0 111.932 179.604 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' HA ' ' A' ' 93' ' ' PHE . 19.7 t -134.74 -59.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.35 -179.354 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.68 46.52 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.131 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -61.32 -45.09 95.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.52 -179.652 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 31' ' ' THR . 17.0 p -50.96 -29.45 12.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.283 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.76 -52.72 63.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.186 -179.028 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.02 -25.06 68.21 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.552 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 68' ' ' ASP . 43.9 m -70.2 -42.66 72.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.358 -179.83 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.3 -31.37 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.424 -179.729 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HB2' HG11 ' A' ' 165' ' ' VAL . 20.0 mm-40 -72.8 -27.82 62.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 111.382 -179.458 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -73.18 -47.78 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 0.0 111.31 179.716 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.5 tpp -82.14 -49.4 10.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.676 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -91.59 -29.93 16.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.231 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 59.36 36.89 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.219 0.533 . . . . 0.0 109.963 -179.074 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' C ' HE22 ' A' ' 33' ' ' GLN . 10.3 tp10 -148.45 128.49 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.294 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -77.87 112.37 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.2 p -145.23 148.66 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.18 8.42 2.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG22 ' A' ' 40' ' ' VAL . 17.6 t70 -67.01 150.45 49.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.786 179.894 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -150.83 151.26 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -134.97 116.52 12.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.44 147.61 56.58 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.249 1.966 . . . . 0.0 111.959 179.807 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 69' ' ' THR . 86.3 m -134.78 125.45 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.328 -179.791 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -116.02 -30.44 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.398 179.483 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.61 4.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.207 179.777 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' H ' ' H ' ' A' ' 48' ' ' ALA . 3.8 p30 -98.55 135.74 39.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 67' ' ' LEU . 24.4 t -128.08 176.77 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.244 -179.661 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -96.27 155.6 16.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -151.04 129.77 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.969 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -153.04 169.94 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HE2' HE21 ' A' ' 63' ' ' GLN . 94.7 mttt -109.84 131.72 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.278 -179.813 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.8 m -139.47 138.56 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.645 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -83.74 144.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -133.21 94.99 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.24 30.58 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.91 -56.21 0.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.319 179.491 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -79.92 121.98 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 112.029 -179.155 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.6 tt0 -88.76 114.48 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.634 179.66 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.33 149.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.49 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.548 HE21 ' HE2' ' A' ' 54' ' ' LYS . 96.8 mt-30 -88.05 153.99 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.27 142.47 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.18 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.3 t70 -118.12 118.81 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 31' ' ' THR . 70.6 mt -109.94 111.31 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 111.642 -179.641 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 50' ' ' SER . 2.2 tm? -92.83 110.45 21.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.031 179.662 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HB3' HG21 ' A' ' 31' ' ' THR . 6.9 p-10 -94.65 -172.09 2.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.624 -179.178 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 46' ' ' THR . 92.4 m 63.63 101.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.14 -87.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.013 -179.611 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -61.9 -31.52 71.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.925 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -50.21 -36.88 32.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -46.83 74.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.403 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.6 -28.22 41.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -86.76 9.18 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.06 155.45 21.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.599 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.8 -71.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -83.04 156.94 34.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.281 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -127.87 135.79 50.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.695 0.283 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.568 HD23 ' SD ' ' A' ' 19' ' ' MET . 24.7 tp -120.93 106.42 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 179.855 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.9 -179.605 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 126' ' ' VAL . 12.6 p -110.91 132.96 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.611 ' HA ' HG21 ' A' ' 25' ' ' VAL . 1.2 p90 -136.24 178.09 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 178.851 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.409 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -110.89 131.57 54.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.467 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 39.2 pt -69.67 -29.5 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.249 179.109 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.2 p -70.33 -15.76 62.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.624 179.283 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.45 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 44.1 mt-10 -124.63 96.65 4.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -61.77 -16.01 46.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.756 179.707 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 15.3 pt-20 -72.42 -26.38 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.659 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.0 m -68.34 -53.49 23.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.65 -179.428 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.69 -35.46 61.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.411 . . . . 0.0 111.715 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 p -72.02 -53.33 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.817 -179.182 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.44 -34.54 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.952 -179.779 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 12.3 p -58.81 -31.08 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 110.111 179.336 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.21 75.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.02 -43.87 91.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.443 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.76 -27.34 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -53.09 -45.47 68.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.85 -34.77 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.672 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -64.04 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.23 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.34 -40.23 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.58 -30.66 70.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.21 -49.63 59.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.267 -179.71 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 114' ' ' VAL . 3.3 m -66.73 -13.3 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.06 41.95 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.43 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.321 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.52 142.03 29.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -95.78 -51.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 0.9 OUTLIER -78.81 96.25 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.992 -179.86 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.96 109.05 42.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.554 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 56.4 Cg_endo -69.22 118.46 5.69 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.547 2.165 . . . . 0.0 112.885 -179.491 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.89 165.76 21.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.818 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 90' ' ' LEU . 29.2 tp -169.05 110.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.536 178.42 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.663 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -88.54 142.78 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.51 -178.804 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 92' ' ' VAL . 11.5 p -152.28 149.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.07 114.96 2.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.146 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -79.42 -162.55 0.42 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.787 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 73.1 mmtt 60.96 14.14 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.491 ' HA ' HH21 ' A' ' 136' ' ' ARG . 71.4 m -56.49 -15.14 3.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.427 -179.731 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.2 6.9 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.727 179.442 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.508 HD13 ' HD2' ' A' ' 135' ' ' ARG . 71.3 mt -128.71 77.94 1.81 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.507 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -73.15 -15.0 61.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.7 pt-20 -91.14 -10.6 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.086 -179.864 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -116.22 1.95 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.507 HH12 ' HG2' ' A' ' 133' ' ' GLU . 45.3 ttm105 -70.86 108.74 4.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 110.267 179.508 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -93.65 -27.23 16.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.483 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -94.84 109.18 42.52 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.453 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 133.26 50.34 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.154 1.903 . . . . 0.0 111.455 179.153 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -53.79 -47.87 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 140' ' ' VAL . 38.9 mt-10 -58.38 -48.3 81.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.66 0.267 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.42 -35.74 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.307 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.31 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.598 179.626 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 86.4 mtt180 -74.49 -37.73 63.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.864 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -60.6 -41.88 95.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.451 -179.419 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -48.35 20.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.0 -179.581 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.595 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -61.5 -30.44 70.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.38 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.53 -32.01 72.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 -179.458 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.52 -46.11 63.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 179.381 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -68.22 -23.04 64.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 179.453 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.97 12.29 24.33 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.28 170.14 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.321 0.581 . . . . 0.0 112.335 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.71 157.72 20.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.838 179.084 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.663 ' HD1' HG22 ' A' ' 125' ' ' VAL . 31.2 t80 -118.84 141.51 48.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.514 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.01 153.87 30.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.238 179.881 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -93.47 140.32 29.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 77.5 p -145.25 163.76 33.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.081 0.467 . . . . 0.0 111.745 -179.614 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.5 p -141.27 110.28 6.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.595 179.572 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 159' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -59.81 -21.15 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.496 -179.792 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.9 -55.65 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.603 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -89.6 0.61 56.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.484 -179.482 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 165' ' ' VAL . 7.0 ppt_? 33.62 41.41 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.549 0.531 . . . . 0.0 111.944 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.22 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.193 -179.26 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 167' ' ' LYS . 2.9 m-20 -111.84 19.6 17.81 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.241 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 168' ' ' VAL . 90.9 t -66.76 -49.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.731 0.3 . . . . 0.0 110.683 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -71.68 -14.3 62.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -61.23 -39.3 89.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.218 -179.418 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.6 m -77.97 -26.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.63 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.73 -45.54 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.629 179.789 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.03 -39.51 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.028 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -53.51 56.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.168 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.16 -35.81 79.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.8 ttp -60.57 -41.25 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 -179.903 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -69.83 -34.61 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.541 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -62.34 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.439 HD11 ' HA3' ' A' ' 88' ' ' GLY . 90.2 mt -71.87 -52.41 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -58.16 -37.12 74.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.962 -179.292 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.3 m -88.07 -58.87 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.646 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 82.0 tttt -69.79 -54.31 14.22 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.643 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 22.2 ttpp -58.27 -41.83 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.593 0.235 . . . . 0.0 111.608 -178.976 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 40.8 mtt -76.51 -15.23 59.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -179.688 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.757 -179.893 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.41 172.81 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -139.33 102.83 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -104.38 152.33 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -179.808 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -125.81 128.98 48.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.871 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.02 132.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.7 mm -114.21 132.77 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 179.732 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mmt -85.15 93.19 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.03 179.64 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -101.88 160.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.587 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 162.96 -155.78 27.27 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.576 ' N ' HG22 ' A' ' 104' ' ' THR . 29.1 t -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.663 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.28 29.25 0.25 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.399 -179.855 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.52 80.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.617 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 1.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 111.291 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.91 44.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.688 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 32.3 mtmm -66.62 -56.82 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.8 p -58.05 -29.59 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.847 179.45 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.97 -52.95 61.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.7 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 92' ' ' VAL . 2.8 mt -59.03 -25.44 63.7 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.22 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.5 m -69.96 -58.03 4.33 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.342 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.72 -31.09 57.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.6 -179.282 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.501 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.9 mm100 -67.59 -43.5 80.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -73.01 -25.36 60.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 111.416 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 31' ' ' THR . 95.9 mmm -81.73 -49.33 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.18 -6.23 13.03 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.178 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.1 m-20 58.78 34.47 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.78 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -149.78 142.62 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -179.648 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -90.3 105.68 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.14 144.12 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.778 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.74 115.41 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.69 -60.58 1.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.1 t80 61.51 105.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.282 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.29 93.12 2.27 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.87 179.696 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.59 127.72 26.52 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.588 2.192 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -81.21 162.96 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -113.31 -44.84 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.23 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.41 133.08 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -111.62 176.92 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -102.06 125.76 48.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.86 131.04 54.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 179.47 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -142.67 136.48 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.59 120.25 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.9 m -132.09 159.78 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -94.75 139.97 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.3 tp -138.09 101.68 4.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 57.19 31.26 19.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.03 -25.05 29.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.6 114.16 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 111.106 -179.894 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.77 116.53 18.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.2 m -120.7 142.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.271 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -81.98 136.33 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.782 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -111.51 135.84 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -118.81 113.58 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG23 ' A' ' 31' ' ' THR . 36.8 mt -115.12 134.06 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.217 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.8 tp -136.19 137.4 40.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -89.61 114.67 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.2 p -87.8 -22.65 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -166.87 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.289 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.665 179.911 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -66.11 -27.03 67.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.67 -30.93 71.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.77 -40.86 56.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.305 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -64.22 -43.24 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -179.614 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.651 ' HB2' HG11 ' A' ' 114' ' ' VAL . 32.4 m-85 -65.28 -30.24 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.803 179.84 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -81.38 -21.92 38.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -85.6 6.37 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.84 172.77 21.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.47 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -118.02 -26.18 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.621 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -114.01 158.88 14.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.425 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -133.98 140.19 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.074 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 172' ' ' LEU . 10.5 mt -129.26 109.74 11.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.742 179.196 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.9 tp -82.13 126.3 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.993 179.811 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 30' ' ' LEU . 43.5 t -131.42 138.85 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.452 . . . . 0.0 112.17 -179.389 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 104' ' ' THR . 9.8 p90 -148.87 151.77 35.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.195 178.597 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 36.3 m -87.44 127.89 35.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 96' ' ' THR . 40.2 pt -60.95 -39.69 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.898 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 97' ' ' GLU . 6.0 t -71.37 -12.42 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 39.6 mt-10 -118.11 93.88 4.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.707 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.97 -16.21 58.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.207 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.62 -26.26 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.852 -179.338 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 104' ' ' THR . 17.6 m -74.45 -53.11 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.774 -178.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -48.85 -38.21 21.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 0.0 111.62 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.75 -53.61 11.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.999 -179.595 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -36.59 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.326 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 43.3 p -58.56 -34.49 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.063 0.459 . . . . 0.0 110.772 179.757 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.74 73.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.31 -179.674 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.27 -43.32 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.771 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -66.33 -25.85 67.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -54.14 -44.84 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.523 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.01 -34.45 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.754 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.456 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 78.9 mt-30 -60.82 -30.05 69.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.38 -45.77 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.94 -26.74 66.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.247 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 110' ' ' GLN . 70.5 mtp180 -64.75 -51.05 64.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.48 -179.767 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.651 HG11 ' HB2' ' A' ' 83' ' ' PHE . 1.4 m -62.44 -22.75 30.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 110.574 179.674 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -114.33 51.14 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.075 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.21 -40.37 16.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.092 -179.211 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.62 -46.57 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.35 121.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.141 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -148.8 -61.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.588 179.108 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.509 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mmtt -146.42 92.8 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.572 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mm -95.21 104.08 14.11 Favored Pre-proline 0 N--CA 1.463 0.188 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.63 -178.79 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.621 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 98.4 Cg_endo -80.74 122.52 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.208 1.939 . . . . 0.0 111.684 179.209 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.43 155.16 51.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -179.492 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -161.84 120.76 2.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.235 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.541 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.92 141.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.972 0.415 . . . . 0.0 111.136 -179.521 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.52 147.81 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.146 -179.499 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.16 128.72 8.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.876 179.568 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -101.92 -173.14 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.324 -179.702 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.493 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 11.6 mmmm 56.73 19.44 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.421 ' HA ' HH21 ' A' ' 136' ' ' ARG . 70.6 m -58.35 -16.31 14.03 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.327 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.28 -0.52 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 179.524 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' A' ' 135' ' ' ARG . 46.7 mt -121.22 69.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -64.64 -33.44 75.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.444 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.9 pt-20 -70.82 -17.06 62.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.2 mtt180 -106.4 -4.82 19.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.458 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -63.29 108.37 1.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.747 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -96.91 -21.6 17.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.374 -179.324 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 79.9 t -101.83 98.52 9.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 9.3 Cg_endo -52.54 153.17 14.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.358 2.039 . . . . 0.0 112.044 179.682 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 90.2 t -62.37 -54.25 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.477 -179.497 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.32 -44.18 71.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.791 -179.041 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -66.9 -35.66 80.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.903 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 138' ' ' VAL . . . -73.97 -30.57 62.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.7 mtt180 -78.26 -35.12 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -51.34 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.74 97.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.716 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.34 -36.97 77.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.48 -179.694 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.83 -32.5 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.806 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -51.4 -42.21 61.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -69.41 -27.15 65.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 179.618 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.02 32.91 2.71 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.816 179.613 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.1 170.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.07 0.462 . . . . 0.0 112.111 -179.715 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.47 135.05 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.663 178.888 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.541 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.8 t80 -98.61 143.29 29.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.185 0.517 . . . . 0.0 111.951 -179.055 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.02 152.07 20.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -89.51 143.78 26.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.5 p -150.64 153.41 35.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.989 0.423 . . . . 0.0 111.668 -179.427 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.0 m -124.0 109.82 14.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.46 -3.48 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.32 -179.818 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -93.84 -47.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -89.93 -3.87 57.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.501 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.4 ppt_? 36.45 36.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.048 179.864 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.13 -52.7 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.694 -179.469 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -111.65 16.32 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -179.346 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 166' ' ' ASP . 8.0 p -66.64 -43.25 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.946 179.79 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 166' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.0 -15.19 61.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.307 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -61.57 -45.78 92.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.373 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.32 -26.69 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.602 -179.333 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -69.04 -46.37 68.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.183 179.412 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.02 -30.55 65.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.34 -50.98 61.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.69 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.536 HD22 ' HG ' ' A' ' 90' ' ' LEU . 31.2 tp -63.71 -33.75 76.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.36 -44.06 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.118 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -70.05 -34.75 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.681 179.358 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.89 -44.75 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.453 -179.706 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 67.6 mt -72.71 -54.8 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.713 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -56.98 -30.38 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.929 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 75.6 m -87.94 -60.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -179.431 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 78.8 tttt -72.24 -55.12 7.74 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.36 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -57.23 -58.53 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.637 0.256 . . . . 0.0 111.668 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.9 mmt -57.63 -18.28 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.775 -179.302 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 36.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.49 158.59 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.431 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.8 tp -130.02 109.13 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -103.91 133.05 49.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.9 mttm -116.22 103.98 11.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.56 129.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.188 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -95.94 108.86 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.831 179.816 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.618 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.8 tpt -66.95 97.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.703 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.4 p -113.45 160.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 161.34 84.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.732 -179.805 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 104' ' ' THR . 28.3 t 61.1 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.887 0.375 . . . . 0.0 111.221 179.51 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.36 -36.45 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.69 58.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.268 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.488 HG22 ' OG ' ' A' ' 100' ' ' SER . 53.7 t -106.93 -55.12 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.33 36.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.056 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -50.59 -38.3 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.367 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 p -68.44 -30.39 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.33 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.99 -179.081 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.51 -25.49 68.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.064 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 22.1 m -74.2 -37.89 63.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.968 -179.353 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 99.4 mt -70.91 -49.0 50.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.474 -179.237 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -55.86 -41.24 74.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.377 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 tpp -81.52 -49.86 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.167 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -127.41 -10.47 5.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.561 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.05 73.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -169.82 134.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.597 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -91.39 105.88 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.112 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.1 t -138.86 149.62 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.879 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -90.43 97.57 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.746 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -170.84 143.2 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -157.43 168.1 28.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.74 144.22 28.98 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 147.61 76.43 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.358 2.039 . . . . 0.0 112.295 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 68' ' ' ASP . 43.8 m -102.27 107.27 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -106.73 -56.0 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.44 -1.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.89 138.2 40.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.635 179.69 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -129.75 148.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -179.751 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 70.2 m-85 -92.43 132.37 36.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.258 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -134.85 135.44 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.118 0.485 . . . . 0.0 111.551 -179.655 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.25 172.25 18.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.029 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -128.55 143.2 50.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.499 . . . . 0.0 111.954 -179.62 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.5 m -145.55 137.2 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.41 179.635 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.96 129.67 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.6 tp -137.06 120.17 16.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 55.87 30.67 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.69 56.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.708 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -146.04 113.82 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.17 122.36 26.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.28 177.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -119.01 123.0 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.31 142.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.7 t70 -134.74 116.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -179.663 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -99.76 131.16 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.336 179.514 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.5 tm? -142.06 139.78 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.439 -178.677 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.613 ' N ' HD13 ' A' ' 67' ' ' LEU . 28.2 t70 80.35 105.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.547 179.441 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -143.89 167.24 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.324 179.574 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.562 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . 61.92 172.02 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.554 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.972 179.487 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -60.56 -46.06 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.263 -179.711 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.94 -34.07 58.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.28 -46.76 88.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.788 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -65.07 -44.7 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.627 -179.503 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -17.05 63.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -84.09 -17.99 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.2 m -102.86 11.39 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.474 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -120.18 175.14 15.85 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.518 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -115.9 -60.94 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.556 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.58 166.54 27.96 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.54 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -137.89 132.76 32.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.739 0.304 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 168' ' ' VAL . 1.2 tt -123.48 97.01 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.817 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.668 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.22 128.96 34.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.657 -179.619 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.81 138.52 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 111.831 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.508 ' HB3' HG21 ' A' ' 104' ' ' THR . 30.5 p90 -144.91 146.84 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.445 178.866 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.7 m -90.59 135.02 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.156 -179.683 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 34.5 pt -64.38 -29.75 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.679 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.472 HG21 HD12 ' A' ' 132' ' ' LEU . 35.4 p -73.08 -31.14 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.619 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.02 98.3 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.635 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.35 -21.76 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.036 -179.811 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 25' ' ' VAL . 31.5 m -67.63 -54.73 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.539 -178.976 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.53 -36.07 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.569 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.0 p -71.7 -53.39 13.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.01 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.46 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.034 -179.854 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.668 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.0 p -56.96 -35.97 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.636 179.477 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.077 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.27 -47.93 63.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.696 179.81 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.414 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.5 m-85 -58.9 -24.61 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.774 179.626 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -52.52 -48.3 66.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.76 -36.3 73.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.634 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.452 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -61.26 -34.11 74.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -62.58 -42.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.468 -179.696 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.22 -26.67 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.6 mmt180 -52.5 -51.19 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.875 -179.169 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.7 m -66.56 -40.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.655 -179.43 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -96.96 32.22 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.36 -18.19 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.04 -32.03 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.26 137.61 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.05 -60.57 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.01 120.18 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.5 mm -123.16 104.23 35.34 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.625 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 33.6 Cg_endo -64.8 104.42 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.354 2.036 . . . . 0.0 111.719 179.361 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -133.38 154.39 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 111.272 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -160.61 123.78 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.54 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 147' ' ' ALA . 7.3 p -102.26 143.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 111.5 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 168' ' ' VAL . 12.0 t -140.2 152.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.82 133.52 11.66 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.231 179.859 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -104.54 175.61 5.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HG3' HD12 ' A' ' 132' ' ' LEU . 0.1 OUTLIER 54.69 26.28 7.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.842 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -69.21 -1.99 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.583 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.97 19.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.545 HD13 ' HD3' ' A' ' 135' ' ' ARG . 55.3 mt -139.17 87.78 2.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.63 -34.98 67.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.451 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.5 pt-20 -78.22 -40.81 36.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.7 mtp180 -81.76 7.44 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 39.9 ttm180 -69.34 116.76 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -86.82 -33.99 19.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.419 179.704 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 83.6 t -114.15 114.66 45.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.752 179.572 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 78.2 Cg_exo -50.64 125.0 14.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.17 1.913 . . . . 0.0 111.789 179.652 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -49.45 -40.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.792 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.14 -41.34 88.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 98.0 mtt180 -66.28 -41.19 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -65.73 -47.95 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.772 -179.266 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -47.41 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.216 -179.419 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.16 -37.06 86.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.392 -179.611 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.97 -32.1 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.01 -48.32 64.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.749 179.641 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -58.88 -27.61 65.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.98 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.06 20.05 8.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.132 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -121.13 164.18 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 111.67 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -103.26 128.17 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.726 178.972 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.5 t80 -96.52 124.18 40.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 0.0 111.415 -179.212 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.31 155.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.324 -179.608 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.66 147.25 23.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -179.713 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.7 p -149.83 173.26 13.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.98 179.764 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.426 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 67.9 m -139.72 110.97 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.9 -3.68 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.646 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -99.48 -46.54 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 30.3 p -85.25 -9.65 57.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? 35.01 39.98 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.67 0.606 . . . . 0.0 112.022 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.48 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.788 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -111.78 16.27 20.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.532 -179.455 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -63.32 -39.26 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 179.74 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.31 -23.98 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 179.55 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.37 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.799 -179.303 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 126' ' ' VAL . 3.0 m -73.15 -32.26 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 111.298 -179.201 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -74.38 -41.6 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.654 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -72.04 -35.57 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.398 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.455 ' HA ' HH21 ' A' ' 174' ' ' ARG . 10.8 t70 -64.71 -44.76 89.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 110.706 -179.724 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 124' ' ' LEU . 62.3 tp -72.84 -33.83 66.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 173' ' ' MET . . . . . 0.438 ' HA ' HD12 ' A' ' 176' ' ' ILE . 47.7 ttm -56.51 -44.12 80.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.455 HH21 ' HA ' ' A' ' 171' ' ' ASP . 81.8 mtm180 -66.46 -34.89 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.819 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.22 -33.39 73.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 40.8 mt -70.6 -45.06 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.519 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.2 ptm180 -74.88 -33.13 62.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.1 m -89.28 -59.71 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.119 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.3 -54.48 12.45 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.378 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.625 ' HD2' ' HG3' ' A' ' 122' ' ' PRO . 61.5 tttm -62.4 -33.69 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.504 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 40.0 mtt -81.59 -12.62 58.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.498 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.683 0.278 . . . . 0.0 110.759 -179.916 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.78 0.324 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.45 137.44 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 tp -111.77 102.55 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -104.98 136.66 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.0 122.13 45.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.84 133.73 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.732 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.1 mm -112.57 130.11 66.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.753 0.311 . . . . 0.0 111.401 -179.792 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 95.8 mmm -78.85 90.57 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.253 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.2 p -94.8 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 179.799 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.68 -162.81 28.42 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -60.64 -51.39 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.787 180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.65 31.3 0.24 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.255 -179.886 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.75 57.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.55 -179.834 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.61 -16.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.061 179.783 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.04 43.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.413 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.6 mttt -56.36 -30.54 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 31' ' ' THR . 76.1 p -75.23 -28.98 60.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -52.07 67.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.037 -178.768 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -61.24 -25.35 67.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.339 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.2 m -72.67 -42.21 64.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.636 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.28 -30.09 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.28 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.2 mm100 -76.56 -38.02 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -72.76 -41.78 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.755 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 35' ' ' MET . 71.4 mtp -81.75 -49.55 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.071 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -103.42 -20.34 14.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.082 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.8 t70 58.88 43.04 18.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.178 0.513 . . . . 0.0 110.053 -179.472 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.5 127.72 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.07 106.02 12.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.621 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.79 141.41 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.24 101.64 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.711 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -141.61 136.72 31.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.949 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -140.86 142.04 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.8 pt-20 -148.35 148.02 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.4 Cg_exo -60.1 145.35 98.64 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.565 2.177 . . . . 0.0 112.002 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -131.23 100.5 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -85.27 -58.46 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.949 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.08 4.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.99 130.96 36.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 p -113.19 171.82 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -103.46 149.77 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.863 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -141.4 131.54 24.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG22 ' A' ' 64' ' ' ILE . 20.0 ptmt -157.36 151.92 25.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.126 179.906 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 30.9 mmtm -105.03 135.61 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.183 -179.572 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.7 147.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.89 140.02 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.7 tp -141.79 103.36 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 55.73 31.26 17.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.739 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.3 -29.32 11.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.411 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -95.38 120.92 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -92.28 121.03 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.82 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.46 152.2 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.609 ' HG2' ' HD2' ' A' ' 54' ' ' LYS . 72.3 mt-30 -81.05 130.31 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.8 tt -116.77 145.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.651 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -133.01 127.29 33.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.06 142.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -135.42 119.27 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.14 150.29 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.9 m -142.08 -74.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.83 -171.07 1.28 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.936 179.449 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 56.1 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.821 0.343 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 33.5 ptt180 -64.54 -42.17 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 179.702 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 9.8 m-20 -61.25 -30.81 70.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.431 . . . . 0.0 110.279 179.552 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.0 m-20 -53.05 -34.69 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -74.43 -47.79 31.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.539 -179.515 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.1 m-85 -63.35 -26.02 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -82.31 -10.86 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.111 -179.581 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.6 m -90.17 4.9 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.46 159.03 21.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.78 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -111.75 169.63 13.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.278 179.76 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 65.5 m-85 -133.85 146.5 50.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 111.187 -179.779 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 168' ' ' VAL . 0.8 OUTLIER -131.07 101.68 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.663 179.775 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' HB ' ' A' ' 104' ' ' THR . 12.1 tp -82.25 131.77 35.23 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.713 0.292 . . . . 0.0 110.753 -179.537 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.5 t -138.1 136.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.5 p90 -140.13 147.88 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.23 178.564 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -88.78 129.99 35.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.185 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.479 HD13 ' HE ' ' A' ' 136' ' ' ARG . 3.2 pt -65.89 -30.12 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.098 179.414 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 129' ' ' LYS . 62.9 p -68.96 -17.14 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.477 179.342 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -124.69 98.12 5.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.736 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.78 -16.19 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.18 -25.78 60.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -68.54 -52.37 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.57 -36.04 55.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.768 -179.787 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.8 p -72.15 -53.67 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.835 -178.902 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.13 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.901 0.382 . . . . 0.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.8 p -54.38 -33.26 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.738 179.271 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -68.47 -32.35 72.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.49 -38.18 86.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -58.21 -23.29 55.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.714 179.922 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.518 ' NH1' ' HB3' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -47.26 -49.53 23.31 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.6 mt-10 -68.12 -40.56 82.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 179.719 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.32 -26.76 65.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.4 ' CG2' HG21 ' A' ' 121' ' ' ILE . 80.8 mt -70.45 -43.98 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.8 mmp_? -56.66 -50.51 71.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.6 m -70.06 -11.61 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.233 -179.877 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.458 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.9 mmtt -126.78 67.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 179.776 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.41 -20.33 37.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.11 -55.69 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 180' ' ' LYS . 9.4 tp10 -67.73 133.75 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.1 -14.38 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.817 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 13.3 mptt -109.07 96.47 6.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.809 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 111' ' ' ILE . 4.1 mp -108.07 105.27 56.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.659 179.469 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.2 Cg_endo -62.87 130.79 30.48 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.383 2.055 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -139.31 161.38 37.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 50.0 tp -162.55 124.02 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 179.437 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -98.68 141.91 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.047 0.451 . . . . 0.0 111.756 -179.276 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 168' ' ' VAL . 7.4 t -143.32 157.15 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.617 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.9 5.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.317 179.935 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -94.37 -171.81 2.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.506 ' HE2' HG21 ' A' ' 96' ' ' THR . 11.2 mmmm 60.08 15.46 5.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -61.13 -13.34 16.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.15 -3.13 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.707 179.851 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 135' ' ' ARG . 44.5 mt -120.4 85.87 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.85 -27.94 63.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.62 -34.23 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -89.82 -2.28 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.803 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.479 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.3 ttm180 -67.8 108.23 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.16 179.535 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.413 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 29.5 mm-40 -87.58 -27.79 22.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.549 -179.186 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.4 t -96.75 106.97 33.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.248 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 36.7 Cg_exo -58.08 125.04 17.35 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.078 1.852 . . . . 0.0 111.218 179.091 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.561 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -46.21 -43.25 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.545 -179.408 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.77 -48.92 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.167 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.6 -36.83 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.39 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.9 mtt180 -65.82 -44.01 86.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.57 -179.564 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.9 t -59.98 -53.45 57.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -46.59 88.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 -179.717 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.29 -47.96 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.472 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.67 -31.65 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.521 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.9 -48.41 70.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.679 0.276 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.518 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 8.4 m0 -69.18 -7.75 39.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 179.768 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.89 27.36 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.003 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.65 168.1 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 0.0 111.377 -179.606 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -113.91 131.38 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.746 178.888 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.1 t80 -94.58 137.47 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 111.015 -179.527 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.51 152.62 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.714 -179.444 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.86 137.25 32.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.381 179.611 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 164' ' ' ASN . 64.6 p -146.78 157.31 43.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.086 0.47 . . . . 0.0 112.034 -179.334 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 m -129.11 110.93 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.43 179.371 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.65 -5.3 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.589 -179.937 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -94.5 -37.06 11.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.8 p -95.53 -6.19 41.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.38 -179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.426 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 35.42 38.47 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.572 0.545 . . . . 0.0 111.626 -179.81 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.65 5.2 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.518 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.7 p -56.49 -39.05 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.82 -34.94 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.948 179.543 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -56.49 -30.66 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.949 -179.083 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 126' ' ' VAL . 2.8 m -73.05 -31.66 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 111.391 -179.375 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.56 -41.45 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -71.92 -40.82 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.045 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.07 -45.4 90.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.8 ttm -57.5 -41.01 79.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.133 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.55 -32.24 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.589 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.6 mt -72.5 -32.81 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -75.54 -42.3 52.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.569 -179.831 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.0 m -87.11 -59.33 2.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -178.324 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.44 -54.97 10.17 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.276 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.5 tptm -58.42 -37.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.85 -15.42 54.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.7 0.286 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.937 -179.985 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.85 164.11 14.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.3 tp -135.98 110.28 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.6 129.96 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.2 mttm -107.43 123.17 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.265 -179.653 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.8 130.79 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.6 112.13 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.477 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 5.6 mmt -62.26 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.495 179.363 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.7 p -99.39 157.99 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.719 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -178.23 -162.32 27.81 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.651 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.2 p -64.57 -33.09 75.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.732 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.3 21.79 4.32 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.258 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.12 69.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 93' ' ' PHE . 78.5 t -127.76 -77.51 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.658 0.266 . . . . 0.0 111.162 -179.728 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.23 39.6 0.02 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.639 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 7.2 ptpp? -69.46 -35.56 75.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 31' ' ' THR . 97.6 p -57.58 -30.75 65.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.296 179.858 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.37 -54.11 23.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.091 -178.955 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.5 mm? -60.1 -24.76 64.9 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.645 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 28' ' ' SER . 65.3 m -64.56 -47.32 79.18 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 179.73 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.89 -36.87 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.368 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.681 HE22 ' HA ' ' A' ' 39' ' ' PHE . 61.0 mm-40 -56.43 -36.64 69.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -72.77 -25.13 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 179.86 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.67 -49.7 10.17 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.299 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.67 -6.87 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.0 m-20 58.15 38.88 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.067 0.46 . . . . 0.0 110.527 -179.688 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -149.86 135.31 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.681 ' HA ' HE22 ' A' ' 33' ' ' GLN . 60.3 t80 -85.43 118.98 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.444 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.6 t -132.04 142.48 42.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.25 -38.77 92.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.3 m-20 -57.4 121.38 10.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -109.0 166.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 45.2 mt-10 -134.21 102.76 11.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_endo -64.95 157.99 53.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.268 179.951 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 68' ' ' ASP . 87.4 m -95.11 138.38 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.3 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -142.99 -44.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.89 -19.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.17 132.28 38.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -110.97 164.12 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 54.9 m-85 -104.06 145.58 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.654 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -147.91 146.38 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -165.85 142.54 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.497 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.38 121.96 28.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.6 m -137.54 143.41 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.875 179.596 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.628 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -90.24 139.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.016 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD23 HH11 ' A' ' 177' ' ' ARG . 55.3 tp -143.87 120.79 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 56.88 30.99 18.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.02 -31.7 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.84 123.27 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.8 tt0 -80.7 112.55 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.139 -179.699 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.39 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -87.6 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.723 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.59 142.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 23.3 t70 -123.55 118.22 26.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.974 -179.837 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.11 120.3 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -132.73 138.05 47.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.59 ' N ' HD13 ' A' ' 67' ' ' LEU . 18.2 t70 65.17 98.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 75.3 p -132.14 37.32 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -179.695 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.36 162.26 41.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.391 179.865 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 23.9 ptt180 -69.67 -35.83 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.439 179.779 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 11.3 m-20 -69.45 -31.09 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -50.46 -34.82 26.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.158 179.657 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -60.15 -42.43 94.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.0 m-85 -63.23 -39.22 93.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' HB2' ' HB ' ' A' ' 114' ' ' VAL . 36.7 ttm180 -68.94 -15.94 63.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -81.28 -18.52 45.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.396 -179.558 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.76 157.3 15.48 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.776 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 10.8 mm-40 -96.81 -13.48 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 110.651 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -127.69 158.34 21.27 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.097 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 34.7 m-85 -135.46 131.97 36.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -122.02 106.82 11.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.784 179.758 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -82.76 118.84 23.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.528 HG22 HD22 ' A' ' 90' ' ' LEU . 3.3 t -126.5 131.03 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.707 -178.855 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.5 p90 -139.93 -176.81 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.715 179.019 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.417 ' OG ' ' HG3' ' A' ' 129' ' ' LYS . 15.6 t -124.02 141.57 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 136' ' ' ARG . 18.5 pt -71.52 -34.4 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.938 179.726 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.408 ' N ' HG13 ' A' ' 95' ' ' ILE . 58.7 p -65.9 -27.88 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -108.38 98.7 8.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.2 -17.74 62.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.32 -26.97 60.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.003 0.43 . . . . 0.0 110.909 -179.499 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -68.38 -54.05 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.445 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.71 -39.96 71.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.735 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.71 -53.78 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.319 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.82 -35.87 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.139 -179.455 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.621 ' HB ' HD11 ' A' ' 91' ' ' LEU . 6.9 p -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.375 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.47 76.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.15 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.752 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 35.1 m-85 -62.14 -26.72 68.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.68 -179.832 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.4 tmt_? -51.33 -48.74 62.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.74 -29.08 65.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.84 -26.68 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.457 -179.579 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.5 mt -67.18 -41.78 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.297 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.94 -27.31 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.419 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.4 mmp_? -62.88 -50.18 71.91 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 84' ' ' ARG . 4.3 m -70.23 -11.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -124.88 37.62 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.48 -15.69 58.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.39 -179.969 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.7 -26.11 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.22 144.47 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.69 -52.93 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.22 118.19 20.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 50.8 mm -122.02 106.17 36.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.6 Cg_endo -66.6 117.88 5.09 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.884 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.582 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 15.9 tp -129.27 160.96 31.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.582 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 20.8 tp -163.36 113.52 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 179.26 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.67 HG22 ' HD1' ' A' ' 154' ' ' TYR . 1.4 p -88.61 139.71 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.354 -179.439 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.32 153.93 29.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.187 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.72 110.71 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -81.98 -167.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 95' ' ' ILE . 68.6 mmtt 58.55 15.57 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.344 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.469 ' HA ' HH21 ' A' ' 136' ' ' ARG . 66.9 m -59.61 -17.84 36.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.122 -179.679 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.56 -13.12 18.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 110.399 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.4 mt -113.23 76.25 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.79 -25.53 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.198 -179.538 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -84.76 -12.92 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.103 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 65.2 mtp180 -109.0 2.47 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.899 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.469 HH21 ' HA ' ' A' ' 130' ' ' SER . 40.7 ttm105 -66.86 109.94 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.997 -179.789 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -82.05 -27.99 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.107 -179.833 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.18 109.95 54.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.73 147.26 72.78 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.264 1.976 . . . . 0.0 111.765 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 95.1 t -58.67 -54.94 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.506 -179.703 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.89 -33.57 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -179.111 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.18 -45.41 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.12 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.6 mtt180 -71.49 -51.61 22.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -62.9 -29.34 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.243 179.612 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -64.53 -48.9 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.225 179.548 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -52.48 -50.87 61.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.399 -179.112 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.13 -31.61 20.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.762 -179.525 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 146' ' ' LYS . 46.7 mt-10 -52.37 -48.97 65.28 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.284 179.621 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 150' ' ' TRP . . . . . 0.451 ' CZ3' ' HE3' ' A' ' 146' ' ' LYS . 12.6 m0 -83.97 5.56 25.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.91 20.54 61.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.599 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.444 HG23 ' HB1' ' A' ' 147' ' ' ALA . 21.8 m -121.26 -179.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.171 0.51 . . . . 0.0 111.627 -179.895 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -125.04 134.71 52.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.628 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.67 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.6 t80 -95.66 143.25 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 0.0 111.794 -179.411 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.34 148.49 29.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.51 141.41 28.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.4 p -144.23 153.11 41.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.905 -179.158 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.8 m -125.85 108.74 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.379 179.402 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -19.77 64.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.49 -31.32 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 48.4 p -95.98 -23.17 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.876 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.636 HH11 ' H ' ' A' ' 39' ' ' PHE . 13.8 mtm180 54.67 32.12 16.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.46 -55.3 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.679 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.49 30.72 2.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.1 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 168' ' ' VAL . 47.0 t -68.95 -47.8 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.514 178.97 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -72.03 -14.97 62.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.8 -31.3 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.524 -179.697 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.3 m -85.91 -34.44 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.312 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -74.83 -44.48 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.417 -179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.14 -52.31 24.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.688 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.76 -42.75 68.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.915 -179.679 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -73.0 -35.35 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.69 -39.52 94.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.95 -34.88 79.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.8 mm-40 -64.87 -45.36 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.637 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 51.4 mt -58.09 -32.54 44.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.508 HH11 HD23 ' A' ' 57' ' ' LEU . 73.7 mtp180 -75.53 -52.66 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.818 -179.825 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.1 m -86.87 -59.37 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.417 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.8 tttp -58.13 -54.11 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.916 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 180' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 61.4 tttp -65.53 -57.71 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.354 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.7 mmt -60.8 -12.78 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.028 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 178' ' ' THR . 39.9 t . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.763 0.316 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.44 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.66 116.28 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -108.01 105.53 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -88.34 116.37 26.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.219 -179.435 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.08 135.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.576 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.36 114.41 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.404 -179.496 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -63.34 95.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.452 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -100.87 160.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 169.02 -157.41 29.43 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.807 -179.704 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' HG22 ' A' ' 104' ' ' THR . 31.0 t -61.83 -53.72 51.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.706 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.32 -36.65 0.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.153 -179.683 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.76 79.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.099 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.3 t -121.24 -60.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.9 27.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.103 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.4 mtmt -53.96 -47.21 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -66.39 -31.07 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.453 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.41 -52.83 50.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.763 -179.18 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -25.11 67.04 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.341 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 28' ' ' SER . 99.5 m -68.3 -44.2 75.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.021 179.713 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.23 -37.44 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.2 mm100 -58.95 -37.98 77.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -72.64 -25.12 61.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.772 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 tpp -80.57 -48.62 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -178.645 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.81 -5.95 19.4 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.412 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 57.06 29.66 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.937 0.399 . . . . 0.0 110.342 -179.515 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -154.2 153.1 31.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.777 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 64.5 t80 -87.11 105.6 17.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.631 179.843 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 142.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.646 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.31 142.76 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -155.48 -54.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.9 t80 62.26 108.49 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.61 98.52 5.35 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.18 124.18 15.66 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.534 2.156 . . . . 0.0 112.535 -179.874 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -72.03 143.72 49.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -142.09 -46.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.92 3.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.52 136.21 33.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -116.46 159.99 21.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -116.45 135.01 54.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.88 160.33 34.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.317 -179.864 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -166.13 162.98 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.18 128.43 56.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.94 0.4 . . . . 0.0 111.467 -179.598 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.29 170.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.675 179.661 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.8 t -115.22 144.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.212 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -140.72 97.85 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.19 31.3 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.65 59.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.931 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' HH12 ' A' ' 177' ' ' ARG . 9.4 tp10 -117.83 118.91 33.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -93.0 120.07 32.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.337 -179.415 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -143.05 148.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -98.69 138.97 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -105.62 123.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 179.775 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -102.89 113.71 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 -179.788 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.4 mt -98.39 122.52 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.1 tm? -138.37 137.89 37.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.658 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.8 t70 65.5 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -164.39 9.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.566 -179.554 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.49 166.48 23.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.582 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.233 179.656 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.861 0.362 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -54.85 -56.44 19.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 179.857 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -53.98 -33.59 57.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.97 -41.65 98.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.134 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.03 -47.44 65.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -59.17 -30.14 67.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.758 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' N ' HG11 ' A' ' 114' ' ' VAL . 64.1 ttt180 -78.51 -23.7 46.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -76.36 -20.77 56.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.91 -161.78 22.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -140.08 -32.98 0.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.579 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -107.14 165.59 13.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.434 -179.97 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -140.57 137.85 34.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.319 -179.749 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 172' ' ' LEU . 16.7 mt -128.02 111.02 13.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.793 178.843 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.7 OUTLIER -81.82 130.33 35.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.438 -179.775 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.03 137.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.356 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.653 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.8 p90 -160.39 149.43 17.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.036 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.43 ' OG ' HG13 ' A' ' 25' ' ' VAL . 42.2 m -95.18 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.042 0.448 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.459 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.9 pt -73.23 -34.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.767 179.435 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 132' ' ' LEU . 57.0 p -64.97 -28.08 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.02 179.774 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -107.27 95.0 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -63.11 -16.26 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.031 179.872 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.5 -26.85 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.241 -179.166 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 83.2 p -74.19 -48.32 29.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.51 -178.848 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.0 -42.77 49.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.115 0.483 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.1 p -72.21 -53.53 12.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.33 -179.412 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.89 73.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.611 -179.233 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.655 ' HB ' HD11 ' A' ' 91' ' ' LEU . 24.0 p -55.72 -31.51 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.23 70.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.205 -179.778 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.32 -40.63 93.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.66 179.613 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -64.93 -25.04 67.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -49.48 -44.44 45.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.68 -37.16 73.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.963 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 60.1 mm-40 -61.59 -29.33 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.06 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.215 -179.877 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.3 -26.39 65.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.772 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 28.7 mmm180 -50.6 -51.21 50.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.753 -179.378 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.583 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.6 m -66.14 -34.69 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.3 mmtt -104.93 54.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.233 179.312 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.22 -39.18 56.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.625 -179.559 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.47 -41.42 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 62.94 121.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.611 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.35 -61.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.811 179.483 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.558 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 46.0 mmtm -145.05 89.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.903 179.167 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.47 109.49 36.53 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.691 -178.894 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 122' ' ' PRO . . . . . 0.572 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 83.7 Cg_endo -81.82 135.46 8.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.398 2.065 . . . . 0.0 111.681 179.08 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.7 tp -151.05 165.82 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.262 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.474 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 28.0 tp -168.63 137.24 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.381 179.638 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 91' ' ' LEU . 2.6 t -105.48 144.14 15.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 111.569 -179.503 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.402 ' HB ' HG11 ' A' ' 168' ' ' VAL . 7.8 p -139.88 132.35 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.2 179.547 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.33 106.08 2.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.053 179.332 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.8 -175.23 5.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.644 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.421 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 56.53 16.54 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.494 -179.904 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -61.1 -17.41 52.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.229 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.99 -17.98 42.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.767 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.574 HD13 ' HD3' ' A' ' 135' ' ' ARG . 63.1 mt -105.42 82.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 179.844 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 133' ' ' GLU . . . . . 0.551 ' HG2' HH22 ' A' ' 136' ' ' ARG . 32.0 mt-10 -72.99 -17.74 61.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -91.26 -21.32 21.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.818 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 135' ' ' ARG . . . . . 0.574 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.1 mtp180 -105.74 10.36 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.755 179.913 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.551 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.2 ttm180 -73.96 117.39 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -96.52 -29.44 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.82 111.77 61.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.28 128.5 22.83 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.095 1.864 . . . . 0.0 111.254 179.216 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.6 p -51.89 -44.72 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.314 -179.542 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -56.81 -47.31 80.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.51 -27.57 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.295 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.81 60.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.1 mtt180 -69.12 -38.18 78.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.05 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.3 t -65.25 -51.43 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.118 -179.585 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.31 97.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 -179.816 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.59 78.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.377 -179.907 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.38 -32.26 73.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.251 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -53.67 -43.09 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -69.72 -17.11 63.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.57 24.38 10.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.18 171.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.486 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.31 165.66 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.482 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -133.34 138.2 46.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 155' ' ' VAL . . . . . 0.487 HG11 ' HZ1' ' A' ' 167' ' ' LYS . 61.8 t -140.69 152.56 20.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.637 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 156' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 155' ' ' VAL . 37.1 mt-10 -89.26 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.202 179.539 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.62 HG22 ' HB2' ' A' ' 164' ' ' ASN . 43.6 p -143.96 157.62 44.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.033 0.444 . . . . 0.0 111.687 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.4 m -126.53 111.13 14.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.39 -3.39 2.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -91.98 -37.88 12.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.498 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 78.9 p -96.29 -3.39 44.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.007 179.858 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 162' ' ' ARG . . . . . 0.498 ' HG3' ' C ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.42 40.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.89 -179.718 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -56.13 4.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.853 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 164' ' ' ASN . . . . . 0.62 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.0 m-20 -112.21 15.37 20.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.395 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 165' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.8 p -64.68 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.744 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -74.08 -14.82 61.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.3 179.562 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 167' ' ' LYS . . . . . 0.487 ' HZ1' HG11 ' A' ' 155' ' ' VAL . 6.1 tmmm? -67.31 -35.22 79.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.089 -178.937 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.4 m -72.51 -28.94 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.823 0.344 . . . . 0.0 111.083 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -74.85 -43.77 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.47 -50.18 47.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.772 179.568 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.32 -53.38 51.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 90' ' ' LEU . 1.5 tm? -56.45 -44.99 81.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 22.8 ttp -56.88 -43.02 80.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.477 ' HA ' ' HG2' ' A' ' 177' ' ' ARG . 70.0 mtm180 -69.95 -37.79 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.96 -34.99 79.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 176' ' ' ILE . . . . . 0.579 HD11 ' HA3' ' A' ' 88' ' ' GLY . 96.4 mt -72.67 -53.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.479 HH12 ' HB3' ' A' ' 60' ' ' GLU . 1.8 ptp180 -59.75 -30.16 68.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.396 -179.638 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 178' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 182' ' ' SER . 63.7 m -87.64 -59.65 2.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -179.456 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 54.9 tttp -70.44 -54.37 12.61 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.889 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.32 -38.64 80.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.673 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.0 mmt -81.6 -16.13 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.265 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 182' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 178' ' ' THR . 54.4 p . . . . . 0 C--N 1.331 -0.229 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.503 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.92 110.08 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 63' ' ' GLN . 62.1 tp -84.54 101.3 11.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.28 129.56 52.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 60.9 mttp -102.78 121.97 43.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.219 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.49 129.2 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -105.9 122.26 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.464 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -78.6 78.15 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.786 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.5 p -84.12 157.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.43 -164.6 32.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.498 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.4 t -59.1 -56.26 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.69 -24.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.998 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.61 64.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.146 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 93' ' ' PHE . 47.0 t -109.23 -72.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 0.0 111.288 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.2 39.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.104 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.99 -37.03 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.289 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.2 p -60.14 -29.56 68.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.01 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.7 -52.83 63.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.917 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.744 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.34 -25.57 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.558 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.2 m -65.83 -43.02 89.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.422 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.16 -46.77 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.6 mm100 -55.66 -36.06 66.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 111.517 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.72 -27.08 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.77 0.319 . . . . 0.0 111.373 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.75 -49.75 9.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -117.23 -5.65 11.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-20 58.66 31.82 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' HE22 ' A' ' 33' ' ' GLN . 34.4 tt0 -139.73 133.04 29.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.911 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -84.28 107.74 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.87 144.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.962 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -98.84 126.39 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -144.41 -31.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.7 t80 62.76 107.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.258 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -109.25 118.75 50.3 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.88 132.82 54.35 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.288 1.992 . . . . 0.0 111.885 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.4 m -118.84 141.3 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.351 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -157.57 -37.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -164.51 -17.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' H ' ' H ' ' A' ' 48' ' ' ALA . 11.6 m-20 -72.4 127.27 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB3' HD23 ' A' ' 67' ' ' LEU . 66.9 p -117.36 170.57 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -109.49 126.06 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.81 140.23 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.982 0.42 . . . . 0.0 111.368 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -159.65 169.68 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.47 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -114.73 133.43 55.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 111.521 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -143.09 138.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.8 p -78.57 146.57 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.348 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -136.61 102.23 4.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 52.03 30.82 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.37 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 24.03 12.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.9 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -144.01 113.14 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -81.2 112.81 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 m -123.18 153.13 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 37.2 mt-30 -83.21 148.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 tt -134.81 116.2 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 111.142 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -106.11 114.19 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.454 HG21 HG23 ' A' ' 31' ' ' THR . 49.1 mt -101.4 138.35 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.9 tm? -140.85 101.21 4.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.82 146.45 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 72' ' ' LEU . 66.4 p -124.04 123.27 39.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.297 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.97 -163.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.08 94.23 0.04 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.936 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 75.7 mt -81.8 3.59 25.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.569 0.223 . . . . 0.0 111.339 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.59 12.68 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.32 -54.93 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -62.48 152.85 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.51 -53.49 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.11 -6.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.79 -23.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 38.4 ptt180 -67.29 -37.17 82.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.86 -31.27 62.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.25 -43.89 75.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.8 -30.54 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.599 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -84.38 -32.29 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -80.79 -8.78 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.6 p -94.59 2.8 55.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.9 160.04 23.94 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -92.57 -52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.476 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.54 161.31 26.07 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.643 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -134.64 140.34 45.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.303 . . . . 0.0 110.755 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.93 103.71 7.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.606 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -83.29 96.82 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.754 HG23 HG13 ' A' ' 126' ' ' VAL . 13.0 p -107.8 131.76 57.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.64 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -136.33 -173.6 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.4 t -121.43 144.92 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.373 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.5 pt -78.46 -33.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.949 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -68.9 -19.69 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.72 97.81 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -63.11 -16.32 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.39 -26.6 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 20.2 m -67.76 -53.99 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.293 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.42 -35.93 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.763 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -72.21 -54.08 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.093 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.9 84.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.64 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.5 p -58.66 -31.73 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.18 79.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.49 -47.06 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.67 -29.69 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.104 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -51.06 -45.37 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.91 -30.16 66.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 113' ' ' ARG . 76.3 mt-30 -68.61 -25.12 64.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.365 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.28 -44.95 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.3 -27.04 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.804 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' GLN . 99.6 mtt180 -61.44 -48.64 80.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.3 m -72.54 -12.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -125.98 42.77 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -27.3 68.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.368 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.54 -31.45 47.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.95 163.67 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.08 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.26 107.63 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.18 104.96 46.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.27 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.476 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.3 Cg_endo -67.43 132.46 27.42 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.455 2.103 . . . . 0.0 111.907 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -148.94 155.65 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.8 tp -153.75 127.65 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.585 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.9 p -103.76 142.55 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.017 0.437 . . . . 0.0 111.396 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.754 HG13 HG23 ' A' ' 92' ' ' VAL . 13.8 p -151.74 152.97 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.825 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.8 119.74 3.26 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.97 -162.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' HD11 ' A' ' 95' ' ' ILE . 72.7 mmtt 58.46 12.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.635 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.42 ' HA ' HH21 ' A' ' 136' ' ' ARG . 51.0 m -61.25 -12.16 12.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.38 -4.38 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.96 78.33 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 38.7 mt-10 -72.54 -15.9 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.44 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -93.2 -14.67 26.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.355 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.6 mtt180 -113.94 17.01 18.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.3 ttm105 -82.4 113.3 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -88.69 -31.01 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.802 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.4 t -98.79 109.41 53.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.179 1.92 . . . . 0.0 111.483 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -54.46 -44.99 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.395 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.1 mt-10 -61.4 -43.09 99.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.99 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.0 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.509 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.8 mtt180 -71.4 -40.89 70.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.08 -52.92 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.669 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -47.26 87.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.377 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.42 -32.75 74.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.766 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.4 -32.38 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.712 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.17 -39.33 63.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.687 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.79 30.66 3.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.738 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.03 170.8 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 111.572 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -112.55 131.07 55.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.996 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.585 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.6 t80 -95.54 143.16 27.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.196 0.522 . . . . 0.0 111.88 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.23 153.66 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -93.39 145.08 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.4 p -148.36 159.54 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.45 . . . . 0.0 111.764 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.4 m -130.76 108.67 10.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.424 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.08 -3.73 8.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.37 -32.32 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.531 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 -18.23 21.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 50.64 29.4 4.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.54 4.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.09 19.2 18.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 33' ' ' GLN . 5.7 p -66.95 -41.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.41 -15.03 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -60.04 -42.33 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.877 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.8 m -71.28 -26.73 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 111.658 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.422 ' O ' ' HG3' ' A' ' 173' ' ' MET . 69.2 m-85 -74.8 -48.07 27.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.53 -47.62 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.625 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.54 -38.62 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.454 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.7 -52.46 65.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.269 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 67.1 mtm -55.78 -46.13 78.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -57.62 -35.81 70.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.903 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -31.03 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.3 mt -72.71 -54.52 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 181' ' ' MET . 50.5 mtm180 -54.82 -33.04 61.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 85.1 m -87.3 -59.57 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -70.83 -54.39 11.75 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -57.84 -47.94 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -71.78 -12.46 61.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.401 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.3 t -70.49 -59.13 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 0.0 110.803 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 58.09 18.77 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -126.12 -70.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.523 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.418 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 159.48 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.56 108.74 8.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -111.09 150.39 29.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.2 mttm -125.43 112.6 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.106 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.74 131.55 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.46 113.7 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.62 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 84.6 mmm -67.95 98.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.756 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -110.93 157.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 167.14 92.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.003 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' THR . 28.8 t 61.6 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.57 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.37 66.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.012 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.99 27.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.1 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.53 -30.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.23 41.09 0.48 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.254 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.42 -27.43 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 110.759 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 31' ' ' THR . 78.9 p -74.09 -29.5 61.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.628 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.09 -52.56 64.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.879 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -59.56 -24.83 64.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.5 m -72.59 -43.54 63.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.546 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.63 -33.67 71.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.364 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.544 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.3 mm100 -72.65 -36.17 67.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.969 0.414 . . . . 0.0 111.098 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -73.28 -46.55 49.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.508 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.439 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 63.7 mtp -82.51 -50.0 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.49 -24.64 16.56 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.2 m-20 59.4 41.33 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.537 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -141.23 133.55 28.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.783 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -98.9 112.86 24.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.0 t -133.5 148.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -30.7 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' H ' HG12 ' A' ' 40' ' ' VAL . 19.0 t70 -64.56 155.81 31.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -133.95 155.25 50.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -120.04 99.19 48.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.91 156.67 14.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.516 2.144 . . . . 0.0 112.296 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 48' ' ' ALA . 30.4 m -71.54 116.76 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -94.17 28.48 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.602 ' H ' HG22 ' A' ' 46' ' ' THR . . . 61.99 20.2 11.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.228 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.28 135.61 54.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 t -92.02 176.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -119.34 152.54 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -143.96 131.92 21.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -150.02 150.22 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -98.66 118.16 34.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.2 m -136.4 139.32 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.747 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.3 p -77.61 138.28 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.583 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 HH11 ' A' ' 177' ' ' ARG . 54.6 tp -135.51 112.1 10.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 57.2 30.85 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.12 -33.38 5.82 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.828 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 119.71 35.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.762 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.1 tt0 -79.4 137.11 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.15 150.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.875 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.28 130.71 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.452 HD12 ' HE2' ' A' ' 173' ' ' MET . 14.5 tt -108.42 138.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.2 t70 -117.45 113.37 21.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.57 134.75 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -141.8 107.52 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.64 145.91 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.003 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.9 p -129.37 116.82 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 172.11 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.989 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.53 102.36 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.79 34.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.598 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.16 -26.85 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 75' ' ' TYR . 6.3 t70 -84.11 -163.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 63.8 m-85 65.16 170.24 0.2 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -54.4 6.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.704 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.68 26.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.407 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.23 -17.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.195 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -51.89 -41.31 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -54.66 -32.33 59.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.36 -47.91 83.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.42 -28.53 70.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -84.99 -16.75 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.382 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -81.48 -21.7 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.3 t -95.89 1.56 53.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.09 120.31 4.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.569 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.96 -49.56 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.714 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.618 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -104.28 164.26 14.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.269 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -135.44 146.67 48.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.62 102.87 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.807 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 HG12 ' A' ' 126' ' ' VAL . 40.5 t -139.57 122.49 17.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.539 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.4 p90 -128.41 144.81 51.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.836 0.351 . . . . 0.0 110.502 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -87.95 147.59 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.409 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.7 pt -78.36 -35.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.5 p -68.0 -19.63 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.74 99.47 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.02 -16.93 61.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.01 -26.54 62.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 m -67.9 -54.4 19.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.436 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -58.12 -35.41 71.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.699 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.0 p -71.98 -53.83 11.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.671 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -62.56 -39.02 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.733 ' HB ' HD21 ' A' ' 91' ' ' LEU . 12.4 p -58.49 -36.08 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.581 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.54 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 42.3 mt-10 -66.26 -48.95 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -57.26 -25.74 59.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.02 -50.3 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.94 -36.35 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 9.8 mm-40 -61.33 -28.65 69.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.01 -37.01 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -67.85 -26.19 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.626 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 36.9 mmt180 -50.44 -44.34 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.732 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -79.5 -49.2 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -87.3 32.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.37 -22.07 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -89.34 -19.6 25.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -81.47 147.88 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.7 -69.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -87.01 118.41 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 29.9 mm -103.11 104.99 43.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 24.2 Cg_endo -61.7 116.72 3.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.385 2.056 . . . . 0.0 111.769 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 46.5 tp -145.05 158.33 43.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.949 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 25.4 tp -159.46 128.51 5.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.392 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.678 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -104.67 143.86 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.381 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 92' ' ' VAL . 5.1 p -146.4 158.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -122.69 108.87 1.3 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -81.14 -170.53 2.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt 57.76 16.31 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 t -64.23 -15.06 59.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.24 -17.6 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.2 mt -105.92 84.07 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.635 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.497 ' HG2' HH22 ' A' ' 136' ' ' ARG . 40.9 mt-10 -72.58 -13.63 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.083 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.87 -28.7 16.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.303 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.572 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -98.06 17.86 17.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.23 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.497 HH22 ' HG2' ' A' ' 133' ' ' GLU . 45.4 ttm105 -82.87 116.53 22.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.574 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -99.43 -24.03 14.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.37 102.16 20.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.381 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.9 132.44 44.99 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.055 1.837 . . . . 0.0 111.254 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.36 -43.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.721 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 44.6 mt-10 -55.46 -49.72 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.566 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.235 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.457 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.4 mtt180 -73.0 -37.91 66.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -64.79 -46.64 81.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.525 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.438 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.2 OUTLIER -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.377 -179.228 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.678 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.19 -36.04 76.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.751 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.48 -32.53 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -51.76 -45.35 63.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.438 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 11.1 m0 -62.65 -25.5 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.52 18.18 10.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.254 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.74 -176.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.471 . . . . 0.0 111.287 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -124.47 132.53 53.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.543 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -101.14 141.83 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.11 0.481 . . . . 0.0 111.489 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.52 153.77 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.287 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.59 138.31 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -148.55 152.75 37.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.0 p -117.7 109.73 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.41 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -66.22 -8.53 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.428 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -79.19 -53.68 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.1 p -86.73 3.24 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.269 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.544 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.06 40.61 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.62 0.575 . . . . 0.0 111.9 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.43 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.174 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.475 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.5 m-20 -111.87 15.0 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -67.09 -34.09 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.717 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.27 -15.53 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.75 -39.95 95.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.193 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 111.695 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -74.74 -45.41 44.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.95 -39.62 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.2 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.505 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 14.4 t70 -59.53 -51.93 67.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.4 tm? -56.77 -43.98 81.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.477 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.0 ttm -55.53 -41.38 73.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 92.4 mtm180 -69.8 -45.65 67.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.623 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -54.73 -48.99 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.618 HD11 ' HA3' ' A' ' 88' ' ' GLY . 78.4 mt -57.93 -32.17 42.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.51 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.56 HH11 HD23 ' A' ' 57' ' ' LEU . 82.7 mtp180 -74.12 -55.48 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.8 m -87.81 -58.79 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -59.19 -54.43 47.0 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 63.4 tttm -62.64 -55.85 23.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.6 mmt -60.22 -12.84 9.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.548 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.8 t -77.53 -50.65 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 61.31 178.55 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.69 -72.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.938 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.41 ' O6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.809 0.338 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 153.75 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -122.16 111.58 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.375 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -105.04 118.41 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.226 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 87' ' ' GLU . 99.4 mttt -85.46 146.46 26.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG13 HD23 ' A' ' 172' ' ' LEU . 2.0 t -132.22 123.44 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.487 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.3 mm -107.08 107.78 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.17 105.02 2.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.9 p -117.98 156.98 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.795 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 165.57 88.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 104' ' ' THR . 30.1 t 62.11 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.58 45.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.294 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.45 34.88 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.01 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.39 -69.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.95 38.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.252 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -55.99 -55.81 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 111.086 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -56.27 -31.31 63.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.85 -53.04 45.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 19' ' ' MET . 1.2 mt -62.86 -24.84 67.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.9 m -67.18 -47.53 70.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.191 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.38 -29.56 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.6 mm100 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -72.77 -29.59 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.6 -49.79 9.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -107.9 -21.01 13.0 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.1 m-20 62.5 30.74 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.624 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -137.77 128.04 26.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.717 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -77.87 108.96 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.3 t -109.82 151.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -86.38 12.52 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 9.1 m-20 -120.98 120.62 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -103.08 -176.92 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.98 128.39 11.07 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 156.02 64.07 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.433 2.089 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -89.85 127.85 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -134.55 -62.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.41 1.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 48' ' ' ALA . 17.1 t70 -76.95 133.67 39.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -117.83 174.23 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 36.8 m-85 -118.1 144.01 45.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.696 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.02 132.44 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -158.7 144.59 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 61.5 mttp -96.1 132.62 41.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.493 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.24 157.62 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.923 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.61 116.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 tp -120.69 112.91 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' HB2' HH12 ' A' ' 177' ' ' ARG . 11.4 m-20 56.36 31.26 18.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 20.38 64.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.869 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.53 114.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.68 112.78 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.507 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.39 144.04 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 43.5 mt-30 -81.1 143.51 32.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.323 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.449 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.9 tt -115.82 131.08 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.611 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 19.8 t70 -115.82 116.18 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 HG23 ' A' ' 31' ' ' THR . 84.2 mt -112.21 145.81 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.99 105.42 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -69.23 142.02 54.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.7 p -127.93 131.83 49.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.13 -160.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.23 98.05 2.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB2' ' HG2' ' A' ' 79' ' ' ARG . 6.8 mp -84.51 19.84 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.97 -13.73 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -75.56 173.6 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.06 -54.19 6.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.469 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.4 17.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.07 -16.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.364 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' A' ' 72' ' ' LEU . 76.4 mtm180 -46.52 -35.36 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -55.06 -41.47 71.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.366 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -54.79 -34.51 62.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -77.24 -22.16 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.698 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -84.52 -20.62 31.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -84.39 -15.45 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -89.64 13.81 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.14 171.45 24.18 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.685 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' A' ' 16' ' ' LYS . 11.8 pt-20 -114.92 -33.89 5.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.16 160.87 13.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.164 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.33 132.09 33.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 168' ' ' VAL . 0.6 OUTLIER -119.33 99.18 6.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.678 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.57 128.11 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.644 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' A' ' 126' ' ' VAL . 54.0 t -141.88 128.09 19.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' HB3' HG21 ' A' ' 104' ' ' THR . 20.8 p90 -125.11 149.98 47.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.269 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.2 t -88.11 141.11 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.2 pt -75.41 -31.84 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 HD12 ' A' ' 132' ' ' LEU . 66.0 p -72.49 -12.32 61.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.853 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -126.09 100.18 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -63.06 -16.08 58.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.92 -26.69 61.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 90.2 p -69.07 -53.83 18.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.282 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.05 -35.92 62.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.449 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.56 -53.98 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.17 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.62 89.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.678 ' HB ' HD11 ' A' ' 91' ' ' LEU . 15.4 p -55.2 -44.72 75.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -45.88 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.0 -25.87 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.177 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.446 ' NE ' ' NE1' ' A' ' 150' ' ' TRP . 8.9 ttm180 -52.0 -46.52 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.93 -39.18 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -60.46 -26.99 67.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -40.64 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.142 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.487 HD22 HG13 ' A' ' 121' ' ' ILE . 41.1 mt -67.8 -26.23 65.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.632 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 4.0 mmp_? -50.61 -50.72 53.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.755 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -69.28 -35.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.86 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -106.04 37.85 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.114 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.16 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.309 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.66 -15.91 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.65 134.37 41.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.44 -50.9 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -87.11 122.64 31.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.487 HG13 HD22 ' A' ' 112' ' ' LEU . 38.0 mm -123.05 109.78 31.55 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.35 130.33 26.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.506 2.138 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -144.42 158.05 43.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.372 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.5 tp -166.13 124.7 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.514 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -102.39 143.33 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.396 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' A' ' 92' ' ' VAL . 3.5 t -141.04 151.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.84 110.5 2.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.244 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.05 -179.32 7.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.797 0.332 . . . . 0.0 110.203 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' O ' HD11 ' A' ' 95' ' ' ILE . 26.9 mmmt 54.47 19.78 2.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.127 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.8 t -62.85 -10.51 13.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.61 -2.7 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.56 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.9 mt -118.94 79.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.57 -26.57 67.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -83.79 -8.16 59.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.168 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.56 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.8 mtt180 -119.85 17.51 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.234 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.423 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.9 ttm180 -84.72 109.01 17.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.3 -32.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.9 t -92.49 101.86 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.75 132.98 55.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.154 1.903 . . . . 0.0 111.233 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -54.73 -45.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.765 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.8 pt-20 -55.17 -34.65 64.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.39 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.3 tt0 -75.66 -43.88 45.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.83 -28.54 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.287 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtt180 -74.69 -42.13 58.97 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.02 -36.46 81.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -43.84 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.506 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.05 -43.52 95.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.872 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.02 -32.17 20.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.361 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.55 -47.55 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.859 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.446 ' NE1' ' NE ' ' A' ' 108' ' ' ARG . 8.2 m0 -65.81 -13.37 59.37 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 110.728 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.89 26.43 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.634 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.23 -177.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 111.399 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.59 131.32 48.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.498 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.514 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.9 t80 -94.42 134.71 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.102 0.477 . . . . 0.0 111.281 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 126' ' ' VAL . 10.1 p -130.53 152.23 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.432 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -90.66 136.4 33.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 164' ' ' ASN . 82.5 p -147.38 153.17 39.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 0.0 111.716 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.6 m -126.58 109.03 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.91 -8.65 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -88.82 -40.24 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.7 p -96.34 -4.18 42.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? 34.51 41.69 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.997 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.89 -56.21 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.834 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.443 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.43 10.37 19.78 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.4 p -57.27 -43.25 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.76 -27.04 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.451 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -57.03 -31.42 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.176 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.593 HG23 HD11 ' A' ' 90' ' ' LEU . 4.9 m -81.34 -27.28 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -71.61 -48.1 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.604 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -66.17 -30.3 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.93 -45.31 74.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.484 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.491 HD23 HG13 ' A' ' 17' ' ' VAL . 49.1 tp -57.21 -49.93 74.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.65 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD12 ' A' ' 64' ' ' ILE . 61.3 mtm -54.23 -49.74 68.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.742 0.306 . . . . 0.0 111.308 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.82 -34.71 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.776 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.21 -30.33 69.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.05 -54.93 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.577 HH12 ' HB2' ' A' ' 58' ' ' ASP . 61.7 mtp180 -55.62 -31.85 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.487 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.9 m -86.73 -58.69 2.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.479 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 55.6 tttp -70.44 -54.41 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.91 -55.55 33.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.0 mmt -63.08 -12.83 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.785 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t -81.25 -50.35 9.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.604 0.24 . . . . 0.0 111.397 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 60.99 -178.84 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.04 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -147.39 -75.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.872 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.403 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 61' ' ' GLU . 84.9 mt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.15 143.43 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -115.4 118.99 34.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -103.88 153.06 21.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.14 146.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.03 128.47 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.586 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.8 mm -113.12 117.07 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.575 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.0 101.15 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.241 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -85.91 170.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.551 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 171.7 158.89 16.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.417 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 100' ' ' SER . 77.7 p -50.22 -34.12 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.112 0.482 . . . . 0.0 110.74 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.93 -5.06 1.69 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.007 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.68 70.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.157 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG13 ' OG ' ' A' ' 94' ' ' SER . 54.0 t -117.21 -66.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.319 . . . . 0.0 111.405 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.57 26.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.282 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.1 pttm -54.43 -52.72 60.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.337 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' THR . 90.8 p -61.1 -30.34 70.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.46 -53.58 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.422 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -24.96 63.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.526 HG23 HG21 ' A' ' 66' ' ' ILE . 31.8 m -63.95 -54.09 40.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.16 -30.01 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.106 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.4 mm100 -61.86 -37.46 84.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.93 -25.71 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.368 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.4 tpp -81.87 -49.72 10.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -104.89 -6.13 20.47 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 55.31 32.22 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -150.28 158.34 44.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.583 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 51.0 t80 -85.65 108.33 17.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 42' ' ' ASP . 60.7 t -114.87 130.59 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.2 -22.87 30.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' H ' HG12 ' A' ' 40' ' ' VAL . 6.6 m-20 -77.09 160.71 28.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.68 -177.82 4.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.22 148.05 43.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.45 148.37 63.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.42 2.08 . . . . 0.0 112.243 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -116.97 129.46 56.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.69 -39.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.45 4.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -77.48 129.74 36.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p -123.31 155.99 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.95 150.3 21.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -146.15 137.81 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -168.95 138.41 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.26 124.56 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.379 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.3 144.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -87.21 141.22 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -141.58 110.28 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 56.09 31.33 17.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.08 -35.15 4.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -89.96 113.93 25.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.5 tt0 -83.11 113.73 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -121.51 146.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.76 137.51 36.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.7 tt -110.95 143.38 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -132.02 113.2 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.296 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 31' ' ' THR . 83.1 mt -104.6 141.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.498 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -134.2 109.87 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.22 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -94.44 136.37 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -104.16 -173.39 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.77 176.86 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.28 99.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.45 5.49 8.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.573 0.225 . . . . 0.0 111.378 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 59.26 -86.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.216 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -171.92 125.38 0.56 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -142.67 -169.4 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.12 -54.27 11.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.545 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.7 25.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 mt -59.97 -18.68 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -65.16 -46.47 80.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.41 -31.06 54.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -52.76 -51.33 61.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.454 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -62.78 -47.89 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.217 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -62.35 -18.37 61.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -81.6 -45.98 15.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.259 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.5 t -77.49 11.32 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -121.95 167.94 14.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.786 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.85 -63.4 1.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.337 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.95 148.53 19.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.234 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.7 143.25 49.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.3 mt -130.01 111.45 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.8 tp -82.27 138.75 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.95 125.22 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.9 p90 -148.16 141.47 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.588 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.424 ' OG ' HG13 ' A' ' 25' ' ' VAL . 75.4 m -83.85 150.14 25.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.965 0.412 . . . . 0.0 111.101 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 136' ' ' ARG . 40.9 pt -76.84 -33.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.0 t -76.66 -19.91 57.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HG2' HG23 ' A' ' 96' ' ' THR . 19.9 mm-40 -105.61 97.01 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.659 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.4 ' HB2' ' HG2' ' A' ' 137' ' ' GLN . 55.4 t-80 -62.44 -20.29 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.14 -27.02 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 32.4 m -69.16 -53.85 17.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.301 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.28 -41.91 76.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.87 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -70.65 -53.41 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.181 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.92 -44.63 94.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.323 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.576 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.4 p -57.4 -32.26 66.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.44 -31.71 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.678 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 48.2 mt-10 -68.29 -43.78 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -55.65 -25.0 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.93 -52.02 59.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.74 -37.36 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.17 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.473 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 12.4 mm-40 -56.5 -35.7 68.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.76 -40.32 86.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.3 -26.04 66.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.73 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 32.4 mmt180 -51.45 -50.86 58.94 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -68.52 -35.09 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 111.122 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.9 mmtt -97.24 60.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.695 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.65 -15.54 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.98 -23.96 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 8.9 tp10 -85.25 155.0 21.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.741 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -106.84 -67.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.504 ' HE2' ' HE3' ' A' ' 179' ' ' LYS . 12.4 tptm -76.82 108.78 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.324 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mm -105.35 116.81 59.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.445 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.34 117.66 5.19 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.267 1.978 . . . . 0.0 111.796 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -142.05 158.12 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.0 111.233 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.71 130.75 7.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.867 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.51 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -104.98 143.36 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 111.786 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.413 ' HB ' HG11 ' A' ' 168' ' ' VAL . 2.7 p -132.93 162.81 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.023 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.03 125.9 5.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.859 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -97.6 -179.46 4.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.798 0.332 . . . . 0.0 110.369 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HB3' HD12 ' A' ' 132' ' ' LEU . 73.6 mmtt 56.75 25.34 10.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 73.8 m -62.62 -20.14 64.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.8 -3.42 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.4 mt -105.53 78.69 1.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.077 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.87 -19.04 61.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.2 pt-20 -93.79 -34.53 13.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 95.5 mtt180 -87.14 0.39 55.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.37 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.441 ' HB2' HD12 ' A' ' 95' ' ' ILE . 43.8 ttm105 -59.72 107.99 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.913 0.387 . . . . 0.0 111.081 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' A' ' 98' ' ' HIS . 6.1 tp-100 -88.16 -28.37 21.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.9 t -113.5 107.75 52.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.883 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.62 126.07 21.15 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.212 1.941 . . . . 0.0 111.74 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.489 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.2 p -47.39 -43.06 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.81 -48.81 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.48 -34.72 78.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.716 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.01 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 72.5 mtt180 -75.76 -47.74 24.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -52.7 -41.44 63.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -76.72 -47.53 21.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 146' ' ' LYS . . . -51.12 -27.98 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.047 0.451 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.41 -32.08 69.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.924 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' A' ' 146' ' ' LYS . 30.3 mt-10 -50.46 -46.54 56.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 110.798 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.479 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 35.9 m0 -66.62 -24.7 66.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.43 19.41 9.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.393 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.94 178.23 3.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 111.728 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.64 127.18 53.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.696 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.51 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.2 t80 -94.83 141.88 28.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.45 . . . . 0.0 111.511 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 156' ' ' GLU . 43.5 t -137.24 154.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 155' ' ' VAL . 42.0 mt-10 -89.58 142.45 27.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -149.59 162.12 40.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.3 t -132.4 111.33 11.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.09 -6.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.54 -43.63 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 36.4 p -92.36 -7.82 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.322 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? 35.89 39.29 0.07 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.974 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.03 -56.07 5.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.29 15.89 20.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.13 -40.74 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.648 0.261 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.07 -14.53 61.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -62.3 -44.16 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.413 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.2 m -71.34 -31.9 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.775 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -68.26 -48.34 65.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.82 -40.5 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.376 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.02 -51.06 70.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.014 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.61 -40.47 91.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.9 ttp -56.68 -38.29 72.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.9 -34.2 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -59.04 -47.95 83.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 66.8 mt -57.51 -32.7 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -75.29 -57.51 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.3 m -87.38 -58.93 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.504 ' HE3' ' HE2' ' A' ' 120' ' ' LYS . 80.8 tttt -58.1 -54.08 51.05 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 55.7 tttp -63.15 -56.05 20.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.96 -12.77 20.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.6 t -73.62 -58.08 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 59.67 97.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -75.06 139.63 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 185' ' ' LYS . 12.5 mptt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.403 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.48 167.21 10.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.436 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.78 100.36 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.321 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' NE2' ' HG2' ' A' ' 177' ' ' ARG . 74.5 m-70 -106.92 128.17 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.779 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -100.33 138.23 37.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.2 140.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.019 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.9 mm -106.54 129.73 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 tpt -82.03 104.5 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.3 t -92.92 163.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.75 164.18 26.93 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.377 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 17.9 t -49.54 -45.93 48.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 111.035 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.28 -3.97 1.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.228 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.72 18.68 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 22' ' ' SER . 72.3 t -73.4 -71.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.18 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.19 45.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -49.77 -48.2 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.383 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 31' ' ' THR . 98.0 p -63.91 -29.88 71.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.408 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.68 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.201 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -64.13 -24.87 67.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 28' ' ' SER . 74.5 m -71.36 -41.28 69.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.663 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.89 -44.59 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.479 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -57.84 -39.3 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.379 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.26 -25.58 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 tpp -82.32 -50.24 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -108.59 -9.94 15.27 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 23.3 t70 60.9 32.47 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 0.0 110.469 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -149.15 154.93 39.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -92.23 108.25 19.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.97 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.25 142.87 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.63 101.97 14.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.05 130.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -140.46 137.42 33.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.1 mm-40 -122.96 138.7 30.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 31.9 Cg_exo -58.87 153.68 49.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.313 2.009 . . . . 0.0 112.185 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -82.01 104.58 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -111.17 42.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 63.71 11.95 6.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.308 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.64 125.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.779 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.9 p -111.79 158.95 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -95.33 160.53 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -145.46 130.44 18.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -138.71 150.14 45.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -104.84 131.95 51.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.966 0.412 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -147.34 138.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -81.47 135.47 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.6 mt -133.35 108.25 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 54.25 30.73 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.26 -34.29 5.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.831 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -90.15 113.57 25.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.9 tt0 -84.06 118.94 24.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.642 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -116.68 173.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.247 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -109.6 142.75 40.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.441 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -114.74 128.03 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -113.26 117.08 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 31' ' ' THR . 62.9 mt -114.45 138.93 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -138.16 130.58 29.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.96 116.45 28.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.2 p -80.91 -20.16 42.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -174.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.78 104.66 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 79' ' ' ARG . 84.7 mt -72.94 0.56 10.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.814 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 60.45 -90.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.195 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -151.25 129.35 11.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.764 0.316 . . . . 0.0 111.322 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -152.83 -175.43 5.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.42 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.635 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.72 22.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.437 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -56.97 -18.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HG2' HD12 ' A' ' 72' ' ' LEU . 91.0 mtt180 -59.29 -48.77 80.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.03 -34.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.48 -34.66 71.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -75.52 -33.53 60.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.728 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -79.31 -19.62 49.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.357 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.401 ' N ' HG11 ' A' ' 114' ' ' VAL . 57.9 ttt180 -83.54 -4.97 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.244 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -105.52 -1.67 24.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -117.69 157.11 15.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.815 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 44.9 mt-10 -104.79 -8.68 18.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -131.99 159.46 23.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -136.56 133.75 36.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.575 0.226 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.64 109.45 9.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.949 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.658 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 3.5 tp -83.51 132.21 34.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.718 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG13 HG13 ' A' ' 126' ' ' VAL . 26.4 t -136.91 139.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 18.4 p90 -157.23 146.96 20.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.3 m -86.89 153.71 21.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.526 HD13 ' HE ' ' A' ' 136' ' ' ARG . 10.9 pt -78.55 -40.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.161 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 95' ' ' ILE . 18.3 p -56.4 -27.11 55.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -109.25 86.79 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.0 -16.83 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.17 -27.05 60.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.208 0.527 . . . . 0.0 110.084 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.582 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 49.7 m -63.08 -47.82 81.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.493 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.57 -40.34 71.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.017 0.437 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 33.6 p -71.54 -51.59 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.691 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.148 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.3 p -57.06 -31.81 65.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.058 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.64 -44.21 91.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -60.81 -25.73 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.31 -41.95 66.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.56 -35.97 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -61.88 -35.43 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.39 -42.46 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.577 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.51 -26.27 66.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.868 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -57.06 -51.38 69.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 111.601 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.9 m -68.09 -24.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.045 0.45 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.1 mmtt -118.82 57.15 0.88 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.384 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.31 30.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.417 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.41 -49.52 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.158 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HA ' HD11 ' A' ' 121' ' ' ILE . 37.5 tt0 54.76 99.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.075 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.11 -43.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.822 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.06 81.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 118' ' ' GLU . 15.8 mm -88.9 109.73 32.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.594 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.58 97.22 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.458 2.105 . . . . 0.0 111.522 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.543 ' HB3' HG11 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -122.83 149.59 43.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.3 tp -158.61 125.54 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.218 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.649 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -102.92 143.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.996 0.427 . . . . 0.0 111.888 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.594 ' HB ' HG11 ' A' ' 168' ' ' VAL . 9.5 p -143.51 160.03 16.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.975 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 126' ' ' VAL . . . -116.45 136.97 13.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.105 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -107.93 -179.16 3.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.455 ' NZ ' HG21 ' A' ' 96' ' ' THR . 2.7 mmmp? 54.1 22.53 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -65.65 -8.62 21.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -4.42 7.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 81.24 1.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -12.58 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.652 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -93.89 -8.73 39.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -121.62 15.54 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.1 ttm105 -77.81 108.27 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.07 -32.77 18.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 95' ' ' ILE . 2.5 p -95.47 101.67 8.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.48 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 24.3 Cg_endo -61.93 131.68 36.14 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.143 1.895 . . . . 0.0 111.738 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -52.91 -41.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.5 -49.88 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.555 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.0 tt0 -72.59 -29.54 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.55 -28.57 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 31.7 mtt180 -73.85 -41.61 62.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.2 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -61.74 -45.52 93.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -47.6 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.949 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.649 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.97 -29.13 68.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.94 -32.25 73.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -51.9 -43.49 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.78 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -64.49 -24.93 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 27.41 5.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.543 HG11 ' HB3' ' A' ' 123' ' ' LEU . 31.4 m -128.49 -178.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.274 0.559 . . . . 0.0 112.193 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -120.06 144.91 47.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.102 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.5 t80 -113.63 138.27 50.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.228 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.87 153.73 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.401 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.4 p -149.68 163.03 39.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.991 0.425 . . . . 0.0 111.614 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -127.39 110.9 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.522 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.18 -8.99 9.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.567 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.61 -45.09 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 56.0 p -87.38 -5.71 58.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 34.96 40.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.011 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.67 -56.28 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.855 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.659 ' HB2' HG22 ' A' ' 157' ' ' THR . 91.1 m-20 -112.41 18.63 18.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 168' ' ' VAL . 6.3 p -65.6 -39.09 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.8 -15.29 61.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -59.9 -38.17 81.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.871 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.594 HG11 ' HB ' ' A' ' 126' ' ' VAL . 33.9 m -76.96 -29.37 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -72.66 -44.74 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -72.0 -45.36 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.2 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.38 -47.65 83.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.75 -37.77 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.7 ttp -58.47 -49.18 78.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -58.54 -34.62 71.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.3 mm-40 -63.6 -49.49 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 180' ' ' LYS . 71.6 mt -57.79 -32.11 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 49.1 mtp180 -74.55 -54.78 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.677 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 182' ' ' SER . 75.4 m -87.98 -59.41 2.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.7 tttt -58.57 -54.12 50.65 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 176' ' ' ILE . 65.1 tttm -65.93 -38.89 89.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.8 mmt -81.09 -12.55 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.78 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 178' ' ' THR . 88.6 p -76.68 -52.36 9.78 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 61.46 169.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -87.23 -42.92 12.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.042 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.1 158.13 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -117.6 121.6 41.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.041 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -116.82 149.49 39.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 67.4 mttm -126.86 102.72 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.78 127.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HA3' ' A' ' 86' ' ' GLY . 25.6 mm -101.1 126.18 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.491 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.6 tpt -79.06 94.26 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -80.09 166.97 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 178.18 157.92 19.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.393 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 104' ' ' THR . 56.6 p -55.12 -49.74 70.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.49 -25.88 0.59 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.209 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.85 60.95 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.206 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.5 t -118.73 -69.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.693 0.283 . . . . 0.0 111.365 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.42 47.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 16.2 ptpt -54.37 -38.66 66.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 110.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 66.3 p -67.02 -29.8 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.161 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.4 65.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.061 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -62.53 -24.8 67.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 63.8 m -73.9 -39.08 64.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.752 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.93 -49.14 48.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.717 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.606 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.9 mm100 -53.73 -35.89 61.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.279 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.578 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.2 ttm -82.16 -50.24 9.25 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.04 -15.8 9.23 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.91 58.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.309 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -151.23 127.59 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.95 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -93.32 107.39 19.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.8 p -131.62 147.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.75 -13.58 61.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 40' ' ' VAL . 19.1 t70 -76.66 149.26 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -150.68 149.46 29.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -115.43 123.47 31.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.33 153.6 70.67 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.326 2.017 . . . . 0.0 112.178 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.9 m -117.42 127.23 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -105.65 -51.2 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.43 -2.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.911 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.37 136.93 37.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -115.09 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -113.6 141.2 47.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.303 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 41.4 ttp180 -145.99 136.0 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.81 172.23 17.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.534 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.86 128.59 56.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.15 137.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.877 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.53 139.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 HH11 ' A' ' 177' ' ' ARG . 53.5 tp -137.08 105.72 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 32.65 19.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.43 -33.52 6.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.359 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.82 114.16 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -85.44 130.78 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.76 149.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.7 tt -109.14 137.3 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.6 t70 -121.91 114.23 20.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG21 HG23 ' A' ' 31' ' ' THR . 71.7 mt -104.41 140.29 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 111.569 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -129.72 113.62 14.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.79 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -138.12 177.66 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 72' ' ' LEU . . . -140.01 -171.48 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.8 98.96 0.99 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.314 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 79' ' ' ARG . 7.6 mp -58.14 -67.84 0.31 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 61.74 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.628 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.42 -45.95 47.01 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.299 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -62.5 137.9 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.325 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.04 39.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.051 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.3 64.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mt -85.71 -16.3 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.528 ' HG3' HD22 ' A' ' 72' ' ' LEU . 98.1 mtt180 -46.69 -47.48 20.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.225 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -53.44 -35.77 60.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.82 -48.52 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -59.32 -50.06 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.411 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.82 -18.9 63.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.184 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -77.77 -35.77 51.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -81.32 1.1 34.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.47 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -116.4 160.03 13.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.838 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.67 -62.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.562 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.33 163.34 32.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.246 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 33.1 m-85 -136.9 143.07 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 0.0 111.055 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -134.03 110.66 9.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 8.4 tp -82.26 136.44 35.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.253 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 126' ' ' VAL . 26.9 t -135.52 134.57 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.5 p90 -152.31 154.67 36.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.474 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' OG ' HG13 ' A' ' 25' ' ' VAL . 52.5 m -100.98 149.56 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.024 0.44 . . . . 0.0 111.319 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 ' HE ' ' A' ' 136' ' ' ARG . 8.6 pt -75.43 -34.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.877 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -58.18 -40.62 81.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.672 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.26 100.45 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.693 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -62.83 -17.78 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.7 -26.82 60.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.445 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.1 m -63.69 -53.87 44.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.59 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.69 -38.92 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.833 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -71.41 -53.42 14.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.074 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.21 -43.44 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.147 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 93' ' ' PHE . 8.7 p -53.86 -37.42 63.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 110.645 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.35 67.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 45.9 mt-10 -62.0 -44.1 97.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -55.82 -31.27 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.433 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.51 -48.51 62.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.87 -40.22 72.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 66.5 mm-40 -60.23 -25.51 65.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.9 mt -69.79 -39.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.56 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.28 -26.39 66.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.724 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -51.12 -50.98 57.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.751 0.31 . . . . 0.0 111.762 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.1 m -69.67 -41.99 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.659 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.598 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.2 mmtt -93.23 31.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.313 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.94 -20.43 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.33 -19.29 22.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.91 177.46 6.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.34 -72.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -70.06 125.28 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.1 mm -123.57 104.37 34.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.312 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.96 123.42 12.56 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.422 2.081 . . . . 0.0 111.761 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 62.5 tp -144.28 156.34 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 tp -163.41 125.93 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -101.24 143.83 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 92' ' ' VAL . 13.0 p -140.38 148.12 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.94 131.43 10.55 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.908 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -100.34 -176.47 3.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 46.0 mmtm 56.84 23.4 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -60.2 -26.21 66.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.685 0.279 . . . . 0.0 111.479 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.26 -8.89 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 135' ' ' ARG . 50.2 mt -112.35 79.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.71 -29.15 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -76.79 -17.65 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.9 mtt180 -106.9 9.43 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.508 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.3 ttm105 -77.88 113.22 15.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -93.99 -30.33 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.03 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 72.6 t -104.92 107.86 59.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.416 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 25.0 Cg_endo -62.6 144.99 95.22 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.177 1.918 . . . . 0.0 111.375 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -55.68 -43.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.818 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.78 -49.58 74.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.64 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.61 -30.97 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.07 55.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.1 mtt180 -68.04 -44.51 76.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.375 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -61.19 -51.55 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.17 86.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.54 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.627 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.92 -32.57 72.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -52.82 -41.55 64.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -68.78 -22.58 64.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.86 31.97 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.443 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -133.37 -176.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.087 0.47 . . . . 0.0 111.409 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -125.41 133.09 52.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.793 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -98.18 142.72 29.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.165 0.507 . . . . 0.0 111.836 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.6 150.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.892 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.67 138.7 31.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.443 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.611 HG22 ' HB2' ' A' ' 164' ' ' ASN . 47.0 p -148.22 159.03 44.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -132.3 110.62 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.468 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.32 -9.68 2.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.479 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.6 p -90.19 -3.31 57.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.459 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? 33.6 40.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.57 0.543 . . . . 0.0 111.972 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -56.12 4.72 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.611 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.06 16.58 20.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.669 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.1 p -66.99 -42.08 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.703 0.287 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.89 -18.95 60.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -67.34 -31.74 72.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.338 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.7 m -73.11 -29.6 29.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 111.377 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -75.31 -45.21 41.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -72.01 -32.24 66.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.76 -53.86 23.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.043 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 176' ' ' ILE . 67.1 tp -64.07 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.5 ttm -54.35 -44.88 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -67.22 -38.67 85.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.14 -28.58 69.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 92.3 mt -72.2 -51.53 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.406 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.457 HH11 HD23 ' A' ' 57' ' ' LEU . 11.4 ptm180 -73.68 -25.59 60.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.94 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 56.6 m -88.6 -60.02 2.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -71.61 -54.83 9.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -60.34 -53.72 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -60.56 -20.31 60.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 0.0 111.654 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.0 t -66.25 -60.48 2.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 111.035 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 46.8 mt-10 60.25 13.74 4.13 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -146.46 156.24 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.967 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.413 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.67 168.82 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -134.17 107.45 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.995 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -107.62 152.4 24.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.8 mttt -129.55 139.91 51.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -121.27 131.74 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.556 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.6 mm -111.06 114.44 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.33 93.62 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.994 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 21' ' ' GLY . 10.8 p -103.9 163.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.32 -160.77 31.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.779 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.607 ' N ' HG22 ' A' ' 104' ' ' THR . 27.5 t -62.37 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.945 0.402 . . . . 0.0 111.047 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.83 -16.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.393 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.24 52.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.663 HG21 ' HA ' ' A' ' 93' ' ' PHE . 55.0 t -106.29 -37.78 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.64 53.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.722 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.686 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -73.7 -24.3 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.614 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.8 p -77.54 -29.43 52.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.36 -52.91 42.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.634 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 92' ' ' VAL . 2.0 mt -55.68 -25.74 41.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 28' ' ' SER . 41.2 m -68.47 -57.57 5.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.416 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.3 -29.43 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.4 mm100 -71.04 -43.68 67.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.393 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.73 -29.06 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 31' ' ' THR . 79.9 mmm -81.75 -47.61 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -97.52 -7.68 30.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 30.88 15.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.039 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -161.33 159.28 28.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.568 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.458 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 43.7 t80 -90.26 107.1 18.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.091 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -142.95 146.07 22.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -95.34 132.99 39.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.68 -42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.1 t80 59.69 98.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -145.85 108.55 4.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.37 139.96 67.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.247 1.964 . . . . 0.0 112.035 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -107.51 143.44 35.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -136.46 -30.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.433 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.53 -8.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.1 m-20 -73.49 134.19 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.015 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -133.99 159.17 41.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -99.11 163.26 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -151.07 144.69 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.717 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -163.85 173.4 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.84 127.22 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.8 147.26 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -90.65 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 57.2 tp -143.15 112.14 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 59.11 31.05 20.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.01 80.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.81 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.74 114.08 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.72 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -78.71 135.21 37.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.33 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.89 146.83 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.914 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.02 121.56 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -107.43 140.02 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.326 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.7 t70 -118.55 120.5 37.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.219 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.474 HG13 ' SD ' ' A' ' 35' ' ' MET . 19.8 mm -95.18 137.7 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.32 99.76 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.355 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 7.2 p-10 -92.83 140.79 29.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -108.78 -177.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.27 168.64 15.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.08 95.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.549 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.43 -65.42 1.01 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.608 0.242 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.21 -81.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.466 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -53.73 -37.81 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.93 74.44 10.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.806 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.61 -18.22 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.666 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.09 -26.48 17.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.553 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.8 mt -85.5 -28.75 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.423 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.92 -36.44 72.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.411 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.01 -36.9 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.06 -43.1 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.674 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -62.61 -44.61 95.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -63.76 -25.28 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -84.38 -16.55 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -86.75 6.52 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.378 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.556 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.97 173.95 24.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.8 -31.01 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.543 ' HA2' ' HB2' ' A' ' 122' ' ' PRO . . . -104.52 156.15 17.21 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.562 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -136.12 134.64 38.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.8 mt -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.037 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.25 123.05 28.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.947 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 30' ' ' LEU . 15.5 t -127.42 138.73 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HA ' HG21 ' A' ' 25' ' ' VAL . 16.6 p90 -151.06 140.44 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.562 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 t -81.46 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.013 0.435 . . . . 0.0 111.463 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD13 ' HE ' ' A' ' 136' ' ' ARG . 29.1 pt -73.43 -33.51 40.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.568 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 132' ' ' LEU . 67.8 p -62.99 -22.28 66.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.16 0.505 . . . . 0.0 109.886 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -124.41 87.66 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -59.46 -16.37 23.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.8 -27.02 68.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.086 0.47 . . . . 0.0 110.27 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 104' ' ' THR . 23.4 m -73.34 -39.23 65.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.787 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -50.91 -49.56 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.875 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -72.29 -48.8 39.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.799 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.7 67.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.661 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 91' ' ' LEU . 35.7 p -62.56 -31.42 72.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.814 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.42 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.232 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.78 -41.33 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.539 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.68 -24.7 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -49.81 -49.13 49.94 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.47 -34.0 71.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.77 -38.27 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.94 -43.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.506 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -26.23 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.938 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -51.18 -50.22 59.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.0 m -74.15 -42.16 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.691 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.577 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.8 mmtt -93.95 38.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.839 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.63 -10.96 56.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.398 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -101.61 -10.94 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -98.97 156.04 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -97.37 -66.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -79.38 115.91 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.5 mm -109.82 109.57 59.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 49.1 Cg_exo -55.65 106.29 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.31 2.007 . . . . 0.0 112.012 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.2 tp -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.966 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.481 ' HB3' HD23 ' A' ' 90' ' ' LEU . 45.9 tp -160.66 113.4 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.655 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.8 p -83.4 144.5 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.617 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.446 HG12 HG22 ' A' ' 92' ' ' VAL . 4.3 p -148.27 161.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.34 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.58 128.97 6.93 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.869 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -97.11 -176.73 3.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.373 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 96' ' ' THR . 26.5 mmmt 57.0 25.72 11.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.4 t -63.37 -19.52 64.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.227 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.14 -9.32 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.583 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.5 mp -109.91 85.02 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.11 -43.04 62.26 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.552 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.83 -6.74 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.861 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.583 ' HD3' HD23 ' A' ' 132' ' ' LEU . 18.4 mtp180 -118.85 3.65 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HE ' HD13 ' A' ' 95' ' ' ILE . 40.2 ttm180 -69.68 107.91 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.477 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -91.04 -32.79 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 95' ' ' ILE . 1.8 p -95.43 104.15 14.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.11 126.52 18.89 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.177 1.918 . . . . 0.0 111.695 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.8 p -50.38 -41.27 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.316 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.09 -48.58 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.507 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -69.9 -43.31 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.51 69.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 45.6 mtt180 -72.21 -43.46 64.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.6 t -58.42 -38.82 78.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -75.98 -47.9 23.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.89 -41.59 67.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.879 0.371 . . . . 0.0 111.559 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.69 -30.83 67.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.052 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.31 -44.55 54.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 33.0 m0 -67.55 -26.26 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.0 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.0 15.67 17.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.733 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.66 -175.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -124.78 128.65 49.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.467 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.579 ' HA ' HG13 ' A' ' 125' ' ' VAL . 44.8 t80 -94.71 139.87 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 111.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.03 154.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.456 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.13 146.83 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.714 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.5 p -151.37 152.74 33.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.468 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.7 m -121.35 110.31 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.56 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.4 -2.77 14.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.521 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.08 -55.55 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.8 t -85.7 -1.31 57.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.08 38.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.206 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.63 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.757 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -108.47 16.1 23.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.77 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -68.79 -36.89 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.92 -15.04 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -60.72 -39.8 89.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 165' ' ' VAL . 31.3 m -72.05 -26.78 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -74.4 -46.34 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -72.49 -43.68 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.537 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.03 -49.7 75.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.12 -32.47 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 50.6 ttm -57.56 -39.62 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' HD21 ' A' ' 57' ' ' LEU . 72.7 mtm180 -69.43 -38.5 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.21 -47.56 80.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.321 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 83.0 mt -57.4 -34.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.375 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 80.0 mtp180 -75.93 -51.23 12.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.075 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 182' ' ' SER . 37.5 m -87.4 -59.15 2.33 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -61.93 -54.14 46.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.8 tttm -62.93 -54.74 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -62.52 -12.71 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.573 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' THR . 44.2 t -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 59.29 15.35 4.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -165.38 108.8 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.948 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.54 177.05 6.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.71 103.53 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -106.44 121.56 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.788 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.5 mttt -100.64 127.1 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.13 136.89 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -112.81 125.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.285 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.443 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -67.51 91.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.378 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.52 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.87 -158.29 28.97 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.418 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 104' ' ' THR . 73.2 p -66.48 -48.35 70.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.127 0.489 . . . . 0.0 110.347 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.17 32.74 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.151 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 25' ' ' VAL . . . 156.72 -96.81 0.16 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.789 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' A' ' 93' ' ' PHE . 5.3 m 47.61 14.85 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.139 0.576 . . . . 0.0 112.451 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.16 35.77 37.22 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.975 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.0 ptpt -59.87 -28.93 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 54.4 p -72.4 -28.76 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.519 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.77 -50.3 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.616 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.713 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -61.19 -25.3 66.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 66' ' ' ILE . 28.3 m -71.47 -42.82 67.66 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.432 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.726 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.2 mm100 -55.54 -41.33 73.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.36 . . . . 0.0 111.39 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.26 -25.38 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.475 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.4 ttm -82.18 -49.76 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.33 -2.8 11.06 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.9 m-20 56.22 41.61 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.47 140.88 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.624 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -81.2 118.53 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -126.42 145.94 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.33 -34.74 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.144 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -59.07 120.21 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -121.08 146.03 47.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -134.26 100.47 12.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.52 156.55 11.06 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.529 2.153 . . . . 0.0 112.514 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -125.04 149.05 48.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.289 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -85.64 -51.19 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.738 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.01 -1.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.11 136.59 41.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.8 p -110.87 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 43.3 m-85 -109.6 150.46 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.491 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -139.42 144.88 38.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.427 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -161.85 155.54 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.539 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.51 131.57 40.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.025 0.44 . . . . 0.0 111.418 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -146.37 137.37 18.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.2 p -89.72 144.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.077 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 tp -138.69 106.4 5.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 56.63 31.71 19.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.03 -37.4 3.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.592 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -87.53 114.31 24.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.3 tt0 -82.67 116.26 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.72 143.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -81.52 128.41 33.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 tt -105.5 135.86 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 17.2 t70 -125.96 115.79 20.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 31' ' ' THR . 74.0 mt -103.6 131.09 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 68' ' ' ASP . 8.2 tp -137.77 131.29 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 67' ' ' LEU . 28.9 t70 -171.31 154.33 3.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.458 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 m -151.19 73.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.77 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.548 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.81 112.69 5.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.794 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 53.3 mt -72.56 6.96 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.608 0.242 . . . . 0.0 111.532 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.41 -14.69 61.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.767 0.317 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.16 -61.6 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 48.7 m-85 -60.68 151.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.34 -54.07 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.94 -10.34 2.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 20.2 mt -64.98 -18.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 37.5 ptt180 -62.9 -34.61 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -52.38 -35.16 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -70.83 -46.92 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.11 -29.55 70.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -77.06 -28.58 54.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.9 p -87.86 12.03 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HG12 ' A' ' 18' ' ' ILE . . . -128.94 134.0 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.59 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.04 -51.98 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -101.6 170.06 20.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.412 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -136.34 137.99 41.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.692 0.282 . . . . 0.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 124' ' ' LEU . 33.6 mt -123.21 104.4 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -82.74 128.86 34.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.651 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -135.01 139.69 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.387 . . . . 0.0 112.041 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.774 ' HB3' HG21 ' A' ' 104' ' ' THR . 25.6 p90 -146.78 162.97 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 49.6 m -99.24 132.44 44.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.458 HD11 ' O ' ' A' ' 129' ' ' LYS . 21.2 pt -64.02 -31.94 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.3 t -81.81 -3.14 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 15.6 mm-40 -123.27 90.35 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.16 -15.98 58.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.37 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.36 -26.84 62.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -77.57 -45.36 25.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.487 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -49.7 -40.16 39.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.722 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.5 p -72.61 -54.96 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -58.47 -43.12 88.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.774 HG21 ' HB3' ' A' ' 93' ' ' PHE . 21.3 p -54.13 -40.61 67.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 110.181 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.87 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.887 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 11.1 tp10 -70.65 -29.15 65.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.966 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.03 -27.58 54.58 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -52.0 -43.17 63.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.55 -29.96 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.77 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -70.1 -32.63 70.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.98 -43.99 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.297 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.53 -26.61 66.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.5 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -62.23 -50.5 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.347 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.98 -11.23 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.061 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.7 mmtt -127.05 58.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.97 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.05 22.63 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.681 -179.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -137.55 -45.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.003 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 180' ' ' LYS . 42.9 tptt -157.89 78.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.001 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.21 117.75 20.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.982 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.492 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.1 Cg_endo -86.5 100.8 0.58 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.511 2.14 . . . . 0.0 111.73 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.1 tp -111.39 166.48 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.067 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.5 ' HB3' HD23 ' A' ' 90' ' ' LEU . 54.3 tp -166.43 122.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.405 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.574 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -101.13 142.82 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 111.546 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 168' ' ' VAL . 16.4 t -143.56 150.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.664 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.68 128.15 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -100.21 -167.0 1.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.529 0.204 . . . . 0.0 110.475 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 95' ' ' ILE . 11.2 mmmm 62.38 18.23 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 69.5 m -57.7 -26.49 61.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.44 -19.19 13.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 135' ' ' ARG . 26.1 mt -101.38 79.76 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.507 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.84 -14.44 61.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.32 -18.01 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -103.21 4.78 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.78 107.8 9.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.365 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -94.62 -29.29 14.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.7 t -92.84 110.27 44.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 125.09 17.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.973 1.782 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.98 -45.34 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.335 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 16.9 mm-40 -60.08 -42.46 94.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.933 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -31.0 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.65 -31.44 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.5 mtt180 -71.83 -39.61 69.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -63.16 -50.04 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.54 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.0 OUTLIER -62.37 -48.15 81.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 111.181 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.99 -31.98 52.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.6 -48.55 63.19 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.729 0.3 . . . . 0.0 110.75 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.54 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 19.6 m0 -66.69 -23.42 66.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.051 0.453 . . . . 0.0 110.323 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.32 27.32 5.88 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.779 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.88 -175.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 111.778 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -131.1 129.55 42.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.574 ' HD1' HG22 ' A' ' 125' ' ' VAL . 43.9 t80 -94.97 141.29 28.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.28 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.06 154.84 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.686 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.3 145.82 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.304 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 164' ' ' ASN . 26.6 p -152.8 174.9 13.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 111.854 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -152.87 110.61 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.73 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -65.46 -5.67 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -91.16 -37.75 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -96.62 -5.85 38.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.15 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.543 0.527 . . . . 0.0 111.659 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.27 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.603 ' HB2' HG22 ' A' ' 157' ' ' THR . 71.5 m-20 -111.79 12.09 20.94 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -59.45 -41.57 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.85 -21.44 60.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.113 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -69.09 -30.92 69.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.832 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -72.69 -30.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.357 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -74.68 -45.27 45.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.18 -33.08 67.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.93 -47.44 80.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.361 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.8 tp -72.59 -32.43 65.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -55.46 -41.05 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.55 -34.35 75.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 14.0 mm-40 -63.62 -48.98 75.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.3 mt -57.07 -32.18 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 181' ' ' MET . 78.4 mtp180 -74.72 -58.45 3.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 182' ' ' SER . 59.4 m -87.8 -58.93 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 55.0 tttp -55.83 -54.06 49.2 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 88.0 tttt -64.4 -58.26 6.97 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -59.88 -14.05 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 178' ' ' THR . 43.2 t -71.45 -57.76 4.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.819 0.342 . . . . 0.0 110.605 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 60.82 94.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -103.65 106.27 16.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.817 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.496 HNB3 ' CA ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.22 178.42 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.946 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -140.47 105.34 4.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -106.23 131.59 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -111.81 106.69 15.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 111.457 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.68 135.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.086 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.476 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.31 139.47 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.47 89.92 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.0 p -97.71 153.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 27' ' ' LYS . . . -173.29 -160.61 22.11 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.576 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 p -69.88 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.12 33.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.21 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.01 60.72 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 93' ' ' PHE . 25.0 t -116.68 -43.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.04 48.44 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 21' ' ' GLY . 20.6 mmtp -55.53 -39.98 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.096 0.474 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.2 p -69.64 -29.74 67.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.579 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.62 -53.23 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -64.33 -24.18 67.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' SER . 77.6 m -73.93 -38.69 64.19 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.292 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.69 -49.27 41.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.658 HE22 ' HA ' ' A' ' 39' ' ' PHE . 9.8 mm-40 -54.59 -40.62 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.733 0.301 . . . . 0.0 111.165 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -72.71 -25.0 61.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.639 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.7 tpp -81.16 -49.57 10.66 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -118.12 3.59 12.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.4 m-20 55.15 35.6 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HA ' ' NH1' ' A' ' 162' ' ' ARG . 40.5 tt0 -148.12 150.9 34.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' HA ' HE22 ' A' ' 33' ' ' GLN . 86.3 t80 -92.46 124.03 36.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.04 146.99 32.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -82.68 -38.22 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.2 173.85 12.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 111.303 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -162.29 -176.22 4.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 19.7 mm-40 -126.91 135.91 28.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.8 Cg_exo -60.38 152.99 63.26 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.355 2.037 . . . . 0.0 111.983 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 m -110.42 124.97 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.231 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.25 -45.48 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.54 -9.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.59 130.16 40.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -111.79 153.75 26.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 65.3 m-85 -96.21 120.66 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.725 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 49.4 ttp180 -128.08 149.59 50.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -164.73 164.71 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -100.9 126.55 47.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.08 157.17 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.226 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.2 p -105.62 143.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -141.43 111.73 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.04 31.12 19.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.0 15.18 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.926 -0.655 . . . . 0.0 112.649 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -89.97 114.15 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -83.67 120.03 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.07 175.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.08 147.89 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.9 tt -126.11 134.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.7 t70 -123.15 114.91 20.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG21 HG23 ' A' ' 31' ' ' THR . 69.3 mt -104.93 137.56 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.61 110.89 11.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.13 146.45 35.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -138.79 114.42 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.34 177.43 5.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.751 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.54 106.05 0.52 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HB2' ' HE ' ' A' ' 79' ' ' ARG . 4.6 mp -84.21 20.62 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.643 0.258 . . . . 0.0 111.181 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.87 -17.43 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.7 -16.49 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -94.19 165.59 12.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -54.12 6.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.666 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.39 27.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.55 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.1 -17.21 17.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.594 ' HE ' ' HB2' ' A' ' 72' ' ' LEU . 99.2 mtt180 -46.27 -43.43 15.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.207 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 10.1 m-20 -53.81 -43.5 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.93 -44.9 78.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.442 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -60.3 -33.23 72.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB2' HG11 ' A' ' 114' ' ' VAL . 48.8 m-85 -80.08 -24.62 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 98.2 mtt180 -74.96 -22.68 58.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.1 p -93.95 10.21 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -133.81 159.79 23.83 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.88 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -103.93 -54.7 2.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.61 161.35 29.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.19 138.3 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 168' ' ' VAL . 1.8 tt -131.95 106.28 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -83.0 132.82 35.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.024 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.71 137.91 48.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.512 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.1 p90 -152.03 149.52 28.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.656 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.51 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 53.4 m -74.48 141.68 44.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 96' ' ' THR . 28.0 pt -76.92 -36.26 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.211 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 95' ' ' ILE . 4.9 t -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 0.6 OUTLIER -101.43 94.62 6.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.706 179.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -14.99 50.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.13 -27.22 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 77.6 p -77.95 -43.43 29.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.702 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -56.65 -34.67 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.001 0.429 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -72.3 -53.76 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.998 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.55 91.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.663 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.0 p -56.99 -31.64 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.7 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.64 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.75 -46.67 81.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.034 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.28 -24.8 63.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.545 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.5 tmt_? -51.38 -54.67 24.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.214 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.07 -29.79 66.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.537 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 78.6 mt-30 -63.67 -31.0 72.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.988 0.423 . . . . 0.0 110.36 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.03 -39.15 82.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.607 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.99 -26.92 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -57.24 -50.6 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.701 -179.586 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.622 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.15 -22.96 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.83 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.622 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -121.61 39.4 3.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.05 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.462 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.66 -37.77 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.42 135.31 34.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.88 -37.18 40.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.2 mptm? -89.48 128.72 36.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.8 mm -126.67 105.71 23.45 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 35.5 Cg_endo -65.2 106.4 0.81 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.329 2.019 . . . . 0.0 112.11 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -126.87 160.44 30.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.4 OUTLIER -168.43 127.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.78 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.564 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -105.66 143.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.978 0.418 . . . . 0.0 111.665 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 168' ' ' VAL . 13.7 t -143.49 138.5 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.94 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.78 134.39 11.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.909 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -103.3 -178.29 3.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 110.382 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? 58.54 24.2 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.426 ' HA ' HD13 ' A' ' 95' ' ' ILE . 36.8 t -58.44 -17.12 18.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.463 HD13 ' HD2' ' A' ' 135' ' ' ARG . 38.8 mt -94.91 82.27 3.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.29 -20.0 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -87.3 -35.88 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.7 mtt180 -87.53 5.12 40.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.8 ttm105 -65.69 108.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 23.9 tp60 -87.43 -25.96 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.2 t -104.21 100.15 20.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.031 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.5 Cg_exo -53.81 132.3 48.77 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.087 1.858 . . . . 0.0 111.394 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -50.43 -44.7 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.069 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 140' ' ' VAL . 18.6 mm-40 -58.8 -49.58 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.129 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.72 -31.49 70.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.854 0.359 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.11 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 91.7 mtt180 -72.17 -33.58 67.81 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 -46.54 80.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.75 64.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.767 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.58 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.699 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.46 -31.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.53 -48.67 65.91 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.777 0.323 . . . . 0.0 110.983 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.481 ' HB2' HG22 ' A' ' 152' ' ' VAL . 9.5 m0 -69.25 -14.27 62.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 7.2 51.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 150' ' ' TRP . 2.9 m -107.15 168.47 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.345 0.593 . . . . 0.0 112.419 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.32 135.09 53.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.484 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.564 ' HD1' HG22 ' A' ' 125' ' ' VAL . 20.1 t80 -100.92 143.78 30.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.535 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.62 152.78 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.47 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.4 136.61 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.675 HG22 ' HB2' ' A' ' 164' ' ' ASN . 81.9 p -147.83 153.74 39.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.997 0.427 . . . . 0.0 111.701 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.4 t -130.7 111.7 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.31 -14.94 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -83.12 -29.3 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 73.0 p -95.82 -18.42 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 38' ' ' GLU . 1.0 OUTLIER 47.35 32.12 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.27 4.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' A' ' 157' ' ' THR . 69.3 m-20 -112.25 10.77 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.548 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.6 t -59.19 -50.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.3 -14.66 62.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.969 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 6.0 tmmm? -74.29 -30.83 62.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.821 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 126' ' ' VAL . 3.3 m -74.49 -27.34 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.629 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.8 -44.48 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -72.03 -29.34 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.316 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 124' ' ' LEU . 12.9 t70 -67.4 -43.37 81.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 110.8 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 124' ' ' LEU . 64.5 tp -72.65 -32.55 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 46.1 ttm -55.06 -44.47 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 91.5 mtt180 -58.06 -42.17 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.96 -45.76 92.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 68.9 mt -59.17 -32.27 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.252 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.465 ' HE ' ' HA ' ' A' ' 174' ' ' ARG . 53.4 mtm180 -74.69 -54.34 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.843 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 182' ' ' SER . 96.6 m -87.24 -59.19 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -61.0 -53.69 54.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtm? -61.89 -55.62 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.4 -13.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.64 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 178' ' ' THR . 46.7 t -64.06 -61.07 2.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.62 -177.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -104.87 114.73 29.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.082 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.433 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.24 163.88 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -139.77 109.0 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.804 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.52 148.8 35.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 91.4 mttt -124.2 124.03 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.86 131.26 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.8 mm -99.83 111.75 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.532 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.04 102.44 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.4 p -115.1 159.82 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 168.17 85.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.876 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 61.01 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.333 . . . . 0.0 111.414 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.27 -31.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.505 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.98 55.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 94' ' ' SER . 83.9 t -111.78 -65.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.06 41.02 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -50.61 -41.38 54.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.917 0.389 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 87.0 p -66.55 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.86 -52.26 66.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.929 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -65.39 -25.18 67.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 90.1 m -67.16 -46.33 74.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.096 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.42 -42.92 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.0 mm100 -57.41 -37.06 72.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.419 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -72.24 -25.16 61.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.9 tpp -81.84 -49.57 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.06 -9.18 14.39 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.2 m-20 57.25 32.29 21.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -146.7 135.91 22.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -91.7 108.18 19.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.5 141.54 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.17 106.35 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -147.36 174.72 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -157.44 106.6 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -122.06 103.9 38.98 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.88 124.7 13.51 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.219 1.946 . . . . 0.0 112.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.2 m -89.85 123.57 33.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -114.97 -41.07 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -14.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.05 127.09 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.527 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.0 p -113.09 174.63 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 48.9 m-85 -108.38 145.77 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -142.03 133.36 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -154.72 144.97 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 54.4 mttp -94.44 124.54 38.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.87 142.26 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -85.99 140.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' A' ' 174' ' ' ARG . 55.6 tp -147.99 118.69 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 58.28 31.55 20.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.744 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 34.94 34.24 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.715 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.61 114.99 4.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.761 0.315 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.1 tt0 -77.63 117.43 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.8 145.1 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -88.76 125.91 35.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -108.92 135.21 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.8 t70 -117.33 113.61 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.1 mt -102.67 139.69 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.9 OUTLIER -136.68 108.12 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.0 136.26 33.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.1 p -106.38 160.5 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.71 -163.59 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.82 89.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.064 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.671 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mt -83.46 15.14 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -95.93 12.0 31.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.37 5.59 15.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -114.09 169.22 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.06 7.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.633 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.29 15.77 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.597 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.23 -16.89 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.671 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 47.6 mtm180 -50.9 -37.62 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.368 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.15 -36.19 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.185 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -57.58 -42.97 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.358 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -66.75 -43.17 84.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.617 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 114' ' ' VAL . 59.2 m-85 -61.31 -22.08 64.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -84.12 -19.05 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.9 t -81.42 3.31 24.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.449 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -153.72 157.26 27.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -97.6 -38.93 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.33 162.05 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -138.3 125.16 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.732 0.301 . . . . 0.0 110.735 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -111.87 102.85 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.716 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD21 ' HB ' ' A' ' 104' ' ' THR . 15.3 tp -83.77 133.27 34.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.015 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' HB ' ' A' ' 126' ' ' VAL . 66.3 t -142.31 121.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 23.3 p90 -119.12 150.53 39.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.822 0.344 . . . . 0.0 110.44 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HG13 ' A' ' 25' ' ' VAL . 15.1 t -89.99 141.41 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 21.7 pt -77.64 -27.41 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 p -73.9 -20.69 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.528 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 45.9 mt-10 -123.3 104.57 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -63.38 -16.45 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.234 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 11.8 pt-20 -69.99 -26.69 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.039 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -71.68 -53.5 13.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.161 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.64 -39.76 37.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.608 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.5 p -73.18 -53.97 9.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.38 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.51 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 93' ' ' PHE . 13.7 p -61.17 -31.86 71.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.0 -42.6 57.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.79 -38.8 89.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.516 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.57 -23.92 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.966 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' A' ' 150' ' ' TRP . 43.5 mtp180 -48.27 -50.85 28.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.88 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.28 -34.05 76.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.34 -38.19 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.85 -25.4 65.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.955 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -49.81 -51.17 41.67 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.608 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -66.46 -52.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.524 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -86.37 51.64 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -41.98 40.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -53.71 -45.65 70.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.947 0.403 . . . . 0.0 110.148 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 121' ' ' ILE . 31.7 tt0 57.1 104.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.848 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -132.59 -52.56 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.708 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HG3' ' H ' ' A' ' 183' ' ' GLU . 74.2 mmtt -146.67 78.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.027 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 118' ' ' GLU . 13.8 mm -79.16 112.43 27.98 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.75 127.51 9.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.701 2.267 . . . . 0.0 111.454 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 tp -148.48 150.58 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 111.608 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.2 tp -159.31 123.9 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.863 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.669 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.1 p -97.97 143.34 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.986 0.422 . . . . 0.0 111.895 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' A' ' 92' ' ' VAL . 12.0 t -141.2 155.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.814 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.31 134.28 11.47 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.252 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.13 -174.86 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.3 mmtp 55.83 22.81 5.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 t -58.84 -17.55 24.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.309 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -76.31 11.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -132.38 76.31 1.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.51 -20.27 61.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -83.31 -24.71 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.5 mtt180 -103.71 0.25 30.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -62.44 107.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.51 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -89.02 -27.51 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -102.73 103.58 33.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.09 130.08 37.66 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.135 1.89 . . . . 0.0 111.357 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -52.3 -45.75 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.356 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.7 mt-10 -60.44 -49.33 77.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.017 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.97 -27.74 69.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.65 56.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.768 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.3 mtt180 -68.8 -40.4 79.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 t -64.13 -51.21 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.308 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -39.8 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.804 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.669 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.94 -37.82 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.248 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.67 -43.25 72.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CE2' ' HD2' ' A' ' 108' ' ' ARG . 13.1 m0 -70.44 -0.34 8.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.198 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.85 30.03 53.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 160.62 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 111.349 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -102.17 129.64 48.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.92 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.59 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.0 t80 -95.14 145.48 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.043 0.449 . . . . 0.0 111.411 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.58 151.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.82 146.55 24.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.5 p -152.64 149.15 28.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.943 0.402 . . . . 0.0 111.545 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.4 p -115.93 110.52 19.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.557 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.609 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -87.61 -47.31 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.4 p -96.66 -2.31 44.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 33.84 45.21 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.618 0.574 . . . . 0.0 111.763 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.31 -55.65 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.297 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -112.06 14.54 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.597 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.5 p -66.82 -32.8 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.46 -26.11 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -61.64 -34.7 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.877 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -73.4 -31.97 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.685 0.278 . . . . 0.0 111.545 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -74.45 -43.25 57.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.731 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -71.72 -33.46 68.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.063 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.45 -53.04 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.23 -32.39 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.8 ttm -54.89 -47.33 74.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 57' ' ' LEU . 79.8 mtp180 -62.97 -34.46 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.32 -46.06 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 69.9 mt -59.11 -32.11 47.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.82 -51.67 13.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.677 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 182' ' ' SER . 92.9 m -87.25 -58.97 2.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -62.1 -53.8 50.3 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtt? -61.13 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.642 0.258 . . . . 0.0 111.454 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.2 mmt -72.43 -12.66 61.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.412 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t -57.59 -61.49 2.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 47.6 mt-10 50.92 27.01 2.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.17 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.912 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.23 130.67 47.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -111.79 111.47 22.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -104.9 141.93 35.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.51 105.61 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.71 131.97 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -94.18 135.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.498 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 5.1 tpt -87.82 89.28 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.7 p -107.19 160.6 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.05 82.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.78 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 63.11 -83.26 0.02 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.974 0.416 . . . . 0.0 111.022 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.71 -85.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.119 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 67.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.107 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 93' ' ' PHE . 97.9 t -109.72 -57.62 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 154.38 31.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.173 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 81.2 mttt -46.97 -43.12 18.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.432 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.475 ' O ' ' HB ' ' A' ' 31' ' ' THR . 95.0 p -69.78 -30.27 67.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.477 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -52.74 63.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.312 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.634 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -64.08 -24.79 67.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 28' ' ' SER . 94.8 m -69.86 -46.72 64.93 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.683 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.05 -40.78 74.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.398 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.14 -39.84 79.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -72.36 -24.93 61.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.498 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -79.17 -49.36 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -109.8 -3.04 16.95 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 55.52 32.01 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.787 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.98 148.06 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -94.56 110.63 22.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -134.13 143.74 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.82 104.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -143.83 172.19 13.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -162.04 102.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -121.55 99.39 45.23 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.4 156.58 45.56 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.409 2.073 . . . . 0.0 112.064 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 m -70.59 96.08 1.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 9.9 mmpt? -98.06 36.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 65.93 7.03 4.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.78 125.86 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m -100.6 160.46 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -98.95 147.2 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.559 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -143.73 138.64 28.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.936 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -152.33 137.17 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -89.08 119.7 29.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.381 . . . . 0.0 111.125 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.2 144.11 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.4 p -79.67 144.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD21 ' HG2' ' A' ' 174' ' ' ARG . 52.0 tp -140.79 109.27 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.757 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 56.22 31.13 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.24 -30.49 9.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.7 119.05 36.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.5 tt0 -85.38 131.13 34.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.224 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.49 148.93 26.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -85.43 135.35 33.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -110.28 140.76 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 14.5 t70 -122.04 114.16 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 HG23 ' A' ' 31' ' ' THR . 68.0 mt -108.55 129.8 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.01 105.37 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.301 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -72.27 146.47 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.211 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.9 p -123.76 112.09 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.73 175.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.28 114.67 3.94 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD22 ' HG2' ' A' ' 79' ' ' ARG . 7.1 mp -76.31 -73.93 0.25 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 110.855 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.96 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.784 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.03 83.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.744 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 72' ' ' LEU . 27.7 m-85 -155.08 175.43 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.525 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.46 -55.14 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.443 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 176.91 22.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.406 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 43.0 mt -54.53 -18.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HG2' HD22 ' A' ' 72' ' ' LEU . 94.3 mtt180 -57.63 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.303 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 11.6 m120 -52.29 -34.49 46.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.541 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.25 -42.47 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.559 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -66.28 -14.24 61.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.628 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.37 -29.03 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 111.191 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.1 p -85.36 10.33 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.6 146.23 18.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.626 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -93.15 -48.41 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.611 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.4 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.296 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 34.7 m-85 -132.26 131.84 42.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.14 107.33 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.703 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.72 129.11 34.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 126' ' ' VAL . 21.9 t -135.88 119.29 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.737 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.701 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -132.54 155.8 47.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.946 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -97.52 151.4 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.475 HD13 ' HE ' ' A' ' 136' ' ' ARG . 21.8 pt -78.38 -37.5 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.0 p -60.49 -28.2 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.547 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.68 99.48 8.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -63.02 -17.05 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.93 -26.65 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.0 p -69.79 -51.6 32.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.75 -36.4 67.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.276 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.1 p -72.9 -54.03 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.863 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.82 -35.28 76.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.703 ' HB ' HD21 ' A' ' 91' ' ' LEU . 3.6 p -59.58 -39.53 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.13 -27.7 63.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.826 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -72.78 -32.75 65.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.055 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.69 -25.1 53.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -51.57 -47.56 63.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.036 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.05 -28.22 67.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.1 -43.23 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.304 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.27 -26.28 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -51.51 -50.63 59.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 111.58 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 115' ' ' LYS . 12.2 m -73.37 -13.74 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.401 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.6 mmtt -120.17 40.87 3.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.98 3.34 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.506 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.05 -27.71 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.22 -178.83 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -128.48 -58.6 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -68.63 107.09 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.36 103.65 46.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.36 128.38 25.98 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.116 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 54.2 tp -149.16 156.53 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.0 tp -162.09 133.24 5.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.269 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -108.23 143.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 111.837 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 92' ' ' VAL . 7.2 p -147.3 147.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.84 128.51 9.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.106 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -99.09 -178.46 3.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.797 0.332 . . . . 0.0 110.315 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm 54.63 20.1 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -62.66 -11.68 18.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.19 -5.91 11.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.445 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.5 mt -117.66 78.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.72 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.3 -24.01 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.513 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -83.43 -6.49 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.1 mtt180 -124.98 12.89 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.427 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.6 ttm180 -75.67 108.31 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.483 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -80.97 -34.69 32.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.542 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -97.95 109.99 53.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.348 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.69 135.69 70.92 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.159 1.906 . . . . 0.0 111.542 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -55.04 -46.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.625 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 140' ' ' VAL . 7.5 pt-20 -62.84 -30.02 71.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.92 -31.36 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.39 51.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.478 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 81.7 mtt180 -66.43 -40.63 89.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.323 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -66.46 -52.42 46.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.548 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -46.46 88.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.633 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -67.91 -34.21 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.47 -31.98 69.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.56 -29.36 16.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.46 31.83 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.073 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.13 -177.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 111.498 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -121.38 146.82 46.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.811 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 125' ' ' VAL . 45.2 t80 -112.91 135.99 53.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 0.0 111.777 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.26 155.17 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.218 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -88.85 150.56 22.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 164' ' ' ASN . 16.8 p -151.75 169.19 22.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.21 0.529 . . . . 0.0 111.818 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.9 t -148.3 116.42 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.406 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.68 -5.46 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.546 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -94.69 -37.86 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 68.7 p -97.31 -11.73 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 35.25 38.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.56 5.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.168 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 157' ' ' THR . 25.8 t-20 -104.28 1.12 30.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.633 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.475 HG23 HD12 ' A' ' 30' ' ' LEU . 12.6 p -56.59 -44.61 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.807 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.449 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.99 -20.57 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 13.6 tmtt? -60.48 -41.45 94.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.619 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 165' ' ' VAL . 27.2 m -72.9 -28.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.696 0.284 . . . . 0.0 111.437 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.9 -46.29 62.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.455 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -71.61 -40.19 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.601 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.42 -53.73 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 124' ' ' LEU . 54.1 tp -62.71 -33.79 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.9 ttm -55.89 -45.23 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.455 ' HG2' HD21 ' A' ' 57' ' ' LEU . 75.7 mtm180 -69.09 -34.36 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.729 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.87 -29.2 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.506 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 94.8 mt -72.8 -54.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.614 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.6 ptm180 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.829 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.4 m -88.21 -59.6 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -71.31 -54.33 11.19 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.4 tptt -60.38 -56.16 24.86 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.7 mmt -57.23 -17.4 11.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.241 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.1 t -77.53 -50.02 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.967 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.45 169.5 0.11 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -85.29 -43.69 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 59.5 mttp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.863 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.733 0.302 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 160.24 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.36 112.52 15.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -107.25 117.67 34.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.45 130.66 44.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.351 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.61 108.13 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.083 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.1 tpt -64.34 94.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.6 p -115.76 159.0 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.43 85.98 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.609 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 104' ' ' THR . 28.6 t 61.79 -84.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.51 -62.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.92 55.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -101.79 -65.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.65 33.84 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 5.6 ptpp? -50.71 -40.45 54.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.181 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.2 p -62.1 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.85 -51.72 63.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.596 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.67 -25.49 67.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.544 HG23 HG21 ' A' ' 66' ' ' ILE . 52.7 m -69.84 -46.01 66.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.488 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.04 -33.37 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.824 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.582 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.4 mm100 -69.16 -33.54 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.572 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -73.06 -46.13 53.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttm -82.45 -50.05 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.62 -23.73 17.5 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 58.04 42.12 23.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 109.94 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.15 127.54 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.881 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -72.14 105.84 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.743 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 42' ' ' ASP . 48.7 t -131.01 144.24 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.191 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.84 -31.6 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.504 ' H ' HG12 ' A' ' 40' ' ' VAL . 13.5 m-20 -60.24 161.01 7.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -158.53 -178.07 7.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.43 126.39 11.65 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.72 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -57.5 141.18 95.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.461 2.108 . . . . 0.0 112.598 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -126.58 131.8 51.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -126.42 -34.08 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.37 -14.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.14 127.53 33.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' HD23 ' A' ' 67' ' ' LEU . 79.1 p -118.09 174.25 6.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -111.41 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.744 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -151.17 139.26 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -155.83 154.14 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -100.21 122.64 43.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.08 137.8 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -70.28 138.8 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 HH11 ' A' ' 177' ' ' ARG . 0.1 OUTLIER -131.92 103.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 54.01 31.28 13.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.05 -39.1 3.01 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.85 115.97 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 111.209 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.2 tt0 -75.58 119.35 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.839 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.7 146.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 148.24 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -127.55 133.32 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.04 115.6 29.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.775 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.544 HG21 HG23 ' A' ' 31' ' ' THR . 23.3 mm -95.87 124.92 48.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 50' ' ' SER . 1.2 tm? -121.83 103.73 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.645 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.63 136.62 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 89.9 m -146.37 149.0 32.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -178.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.38 112.83 1.46 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.816 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 6.3 mp -74.79 11.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.678 0.275 . . . . 0.0 111.316 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -76.91 7.47 4.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.025 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.93 -3.7 25.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 63.7 m-85 -114.66 141.87 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.88 -53.31 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.06 -21.06 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 43.1 mt -57.6 -22.42 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.045 0.45 . . . . 0.0 110.612 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 ttp180 -62.36 -44.42 96.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.918 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.62 -30.96 71.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.8 -34.37 27.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -65.83 -43.54 88.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' HB2' HG11 ' A' ' 114' ' ' VAL . 40.3 m-85 -68.25 -23.83 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.418 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -87.68 13.77 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.333 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.34 148.0 18.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.668 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.34 -10.83 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.675 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -142.88 166.41 26.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -135.61 136.42 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.684 0.278 . . . . 0.0 111.025 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 168' ' ' VAL . 1.7 tt -131.55 103.54 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.8 tp -82.97 129.22 35.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 126' ' ' VAL . 19.4 t -134.14 121.72 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.598 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 104' ' ' THR . 5.3 p90 -131.3 153.87 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.942 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.5 t -94.58 145.63 24.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 27.7 pt -77.23 -34.51 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.964 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.6 p -62.17 -25.8 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -117.03 102.88 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -62.99 -16.2 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.47 -26.55 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m -66.03 -53.76 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.145 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.36 -36.29 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.1 p -72.43 -53.34 12.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.775 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.1 p -60.16 -31.37 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.284 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 43.6 mt-10 -62.16 -44.55 96.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.47 -25.2 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -50.75 -53.24 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.07 -36.81 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.127 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.6 mm-40 -58.5 -29.17 66.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.78 -36.5 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.633 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -68.05 -26.58 65.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.3 mmp_? -67.84 -50.86 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.314 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.2 m -61.62 -22.35 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 110.657 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -123.2 60.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.008 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.73 -36.78 26.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.665 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -52.96 -46.53 68.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.91 0.386 . . . . 0.0 110.261 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 119' ' ' ASP . 6.8 tt0 55.78 -131.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.406 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 118' ' ' GLU . 33.9 m-20 77.94 -45.84 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.886 0.474 . . . . 0.0 110.064 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -148.44 81.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.528 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 118' ' ' GLU . 21.3 mm -86.85 109.53 25.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 63.7 Cg_endo -72.1 103.11 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.248 1.965 . . . . 0.0 111.921 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.9 tp -133.4 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 tp -158.37 122.68 4.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.143 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -100.09 143.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.587 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 92' ' ' VAL . 10.0 p -145.66 154.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.59 139.81 15.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.926 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.35 -175.17 2.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.5 mmtt 56.95 19.96 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.448 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.6 t -57.56 -19.93 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.067 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.17 -8.36 12.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 135' ' ' ARG . 39.8 mt -119.0 87.62 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.39 -40.81 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.234 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.4 -26.27 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.537 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -96.78 10.27 39.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.496 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 41.7 ttm180 -79.56 108.99 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 110.28 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 14.3 mm100 -88.87 -26.86 21.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.492 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.1 102.54 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.9 Cg_exo -54.41 134.44 61.37 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.097 1.865 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.96 -46.66 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.554 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.8 pt-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.359 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.2 tt0 -68.98 -41.25 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.721 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.74 70.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.4 mtt180 -70.2 -40.55 74.51 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.313 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -60.98 -48.18 83.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.631 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -47.99 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.283 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.017 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.41 -32.37 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -54.17 -46.88 72.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -66.96 -19.62 65.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.58 29.52 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.44 160.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 111.74 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -104.62 131.83 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.561 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -97.48 141.49 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.085 0.469 . . . . 0.0 111.776 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.71 151.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.053 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.25 143.81 26.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 164' ' ' ASN . 45.1 p -150.14 159.3 44.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.136 0.493 . . . . 0.0 111.791 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 61.6 m -122.78 111.48 16.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.337 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.7 -2.33 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.6 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.4 ' HE2' ' N2 ' ' A' ' 500' ' ' GNP . 24.1 ttmm -96.98 -48.35 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.768 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 63.6 p -83.47 -5.28 59.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.464 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.31 39.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.86 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.673 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.593 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.8 m-20 -112.11 17.18 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.343 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -62.91 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.4 p30 -74.0 -16.24 61.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 111.105 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -61.67 -31.45 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.793 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' VAL . 26.0 m -80.63 -26.73 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.663 0.268 . . . . 0.0 111.483 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -71.56 -44.44 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.812 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -71.84 -47.01 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.94 -45.79 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.91 -37.04 78.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 3.2 ttp -60.21 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.256 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.19 -36.95 78.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.55 -46.72 86.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 59.7 mt -58.04 -32.21 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 110.765 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.507 HH11 HD12 ' A' ' 57' ' ' LEU . 79.6 mtp180 -73.97 -54.32 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.443 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 55.3 m -88.65 -59.72 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -55.9 -54.33 45.96 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.5 tttm -64.38 -57.71 8.55 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 57.7 mtt -58.13 -18.27 24.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 m -75.61 -49.83 17.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.687 0.279 . . . . 0.0 111.253 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.71 162.78 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.03 -34.6 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.852 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.4 ' N2 ' ' HE2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.681 0.277 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 97.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 111.103 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 1.3 tt -80.6 102.96 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.13 121.78 43.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 57.5 mttp -104.43 117.74 34.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.3 134.29 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.92 126.99 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.191 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 4.2 mmt -75.29 98.2 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -107.14 153.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.437 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 177.77 -159.91 26.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.047 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -59.84 -53.48 57.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.028 0.442 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.21 29.75 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.294 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.52 68.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.745 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.63 -22.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.309 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 113.96 53.52 0.44 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.546 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 50.5 mttm -59.95 -50.59 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 31' ' ' THR . 61.5 p -51.76 -29.42 18.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.285 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.63 -52.81 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.984 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -61.26 -24.56 66.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.8 m -73.04 -41.11 64.53 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.18 72.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.292 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.8 mm100 -64.35 -37.91 89.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.353 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.55 -26.59 61.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.753 0.311 . . . . 0.0 111.197 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.6 -49.51 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -121.31 -11.81 8.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 61.78 36.94 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 0.0 110.57 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.46 140.47 51.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -95.8 105.39 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 42' ' ' ASP . 17.6 t -127.16 143.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.08 -27.15 62.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.665 ' H ' HG12 ' A' ' 40' ' ' VAL . 24.3 t70 -62.83 148.33 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -134.1 -172.78 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -151.6 107.66 2.91 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.66 142.4 50.3 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.461 2.107 . . . . 0.0 112.467 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -114.11 141.97 46.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -135.59 -32.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.66 -13.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.79 136.31 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -126.32 168.4 14.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 21.7 m-85 -102.0 148.79 24.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.224 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.29 141.16 28.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.29 172.86 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.341 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -127.55 127.0 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.067 0.46 . . . . 0.0 111.742 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.54 153.09 32.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.581 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.7 131.14 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.348 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -120.21 95.14 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.743 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 54.15 30.83 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 39.22 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.645 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -153.0 113.83 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -82.91 129.74 35.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.78 177.9 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.592 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt-30 -119.71 119.09 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.806 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.5 tt -107.88 133.03 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -119.87 119.7 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.618 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.85 128.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 tt -132.41 109.48 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.524 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 6.4 p-10 -80.75 120.6 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.9 p -83.58 -10.29 58.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 -169.49 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.097 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.36 86.81 0.62 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 79' ' ' ARG . 80.2 mt -64.62 -75.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.492 0.187 . . . . 0.0 110.796 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.76 35.88 0.13 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.772 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -132.43 -28.89 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -87.17 -179.43 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.12 -53.86 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.64 22.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.93 -17.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' HG2' HD12 ' A' ' 72' ' ' LEU . 88.1 mtm180 -53.52 -39.52 64.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -58.78 -34.84 71.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -57.13 -45.3 83.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.09 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.54 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' HB2' HG11 ' A' ' 114' ' ' VAL . 31.2 m-85 -66.49 -21.83 66.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.513 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -83.31 -3.27 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -100.61 10.54 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -140.52 176.18 21.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.594 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 20.9 mm-40 -109.46 -54.35 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.86 165.14 33.07 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.669 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -135.53 139.82 44.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.721 0.295 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.757 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -131.04 107.73 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.762 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 16.3 tp -82.51 129.11 34.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.484 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 126' ' ' VAL . 21.5 t -129.97 134.43 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.62 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -147.59 154.64 40.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.621 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -94.09 144.47 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.768 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 96' ' ' THR . 3.6 pt -73.52 -42.86 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.5 t -65.9 -11.95 50.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 96' ' ' THR . 10.0 mm-40 -116.96 95.94 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.12 -18.31 63.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 104' ' ' THR . 26.8 m -68.95 -54.07 17.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.856 -178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -57.71 -34.66 69.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.614 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -72.64 -53.84 10.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.4 77.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.4 p -58.49 -39.6 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.44 -34.28 66.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.457 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.76 -44.39 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -60.76 -26.4 67.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.268 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.7 -45.12 70.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.52 -26.79 63.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 65.9 mm-40 -74.21 -26.44 60.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.03 0.443 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.33 -38.41 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -67.63 -26.44 66.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.773 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 19.0 mmm180 -55.43 -50.53 69.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.2 m -71.73 -11.54 15.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.958 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -131.79 69.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.89 -23.05 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.174 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.39 -37.89 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.23 132.06 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.733 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.09 -43.99 14.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.755 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.531 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 27.7 mmmt -95.25 120.11 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.361 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.2 mm -114.84 104.95 53.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HE2' ' A' ' 180' ' ' LYS . 24.2 Cg_exo -63.7 130.51 28.17 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.439 2.093 . . . . 0.0 112.027 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.16 152.67 33.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.451 ' HB2' HD13 ' A' ' 172' ' ' LEU . 14.8 tp -158.22 120.96 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.305 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.606 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -92.8 143.53 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.405 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.453 HG12 HG22 ' A' ' 92' ' ' VAL . 2.5 p -142.02 154.14 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.99 115.54 2.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.894 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -90.33 -177.32 5.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 3.2 tppp? 57.21 17.36 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.5 t -63.36 -10.47 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.113 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.8 -15.08 57.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 135' ' ' ARG . 79.7 mt -104.14 84.08 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.5 -11.18 60.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.85 -28.07 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.7 mtt180 -99.0 -2.35 37.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.291 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.4 ttm180 -67.28 107.87 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 0.0 110.419 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -96.77 -17.16 20.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.0 99.88 41.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.17 142.59 55.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.346 2.031 . . . . 0.0 111.915 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -57.07 -45.88 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.3 mt-10 -56.3 -49.71 73.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.231 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.13 -28.34 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.94 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.5 mtt180 -77.39 -36.64 53.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.2 t -60.13 -51.06 71.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.358 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.25 74.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.515 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.0 -29.23 68.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.2 -32.46 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.96 -41.69 62.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.53 -26.72 61.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.04 30.14 3.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.86 170.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 111.435 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.34 135.11 54.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.726 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.606 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.7 t80 -97.96 146.22 25.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 111.717 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.89 154.3 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -89.4 138.41 31.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.8 p -148.01 156.87 43.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.061 0.457 . . . . 0.0 111.821 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 161' ' ' THR . 68.8 m -136.75 109.04 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.497 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.58 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.755 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.48 -54.9 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 158' ' ' SER . 9.6 t -87.37 -1.67 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.45 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.8 ppt_? 34.81 40.03 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.977 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.1 -55.43 5.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.112 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.27 11.29 21.71 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.7 p -60.44 -42.51 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.63 -15.0 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -37.37 83.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.262 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 90' ' ' LEU . 10.4 p -76.49 -27.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -72.52 -46.69 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.29 -46.78 60.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.201 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -50.49 72.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 124' ' ' LEU . 59.5 tp -60.46 -46.77 88.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 25.1 ttp -54.46 -42.02 70.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.54 -34.13 73.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.09 -26.32 67.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 82.7 mt -72.57 -54.16 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 111.378 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 17.3 ptm180 -60.8 -29.7 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.616 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -87.23 -58.31 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.531 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 52.0 tttp -69.6 -53.33 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.1 ttmm -62.87 -55.98 21.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -62.16 -13.86 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 84.7 p -82.93 -38.46 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.5 -177.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 30.7 p30 -81.15 179.03 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 54.3 mttp . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.858 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.5 172.41 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -139.06 106.95 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -104.33 152.74 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 93.8 mttt -129.9 104.29 7.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.68 137.75 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -107.63 134.51 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.311 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.451 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -85.34 96.08 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.122 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -104.76 157.18 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.958 0.409 . . . . 0.0 111.302 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.79 -163.81 28.58 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.194 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.474 ' HB3' HG23 ' A' ' 104' ' ' THR . 71.5 p -66.2 -49.32 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.67 -13.46 0.78 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.112 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.4 68.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.5 t -121.33 -57.56 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.599 0.238 . . . . 0.0 111.168 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.19 39.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 19' ' ' MET . 33.8 mtmm -53.78 -37.25 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.036 0.446 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' A' ' 31' ' ' THR . 79.1 p -73.33 -29.88 62.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.779 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.2 -53.02 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.986 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 HG23 ' A' ' 165' ' ' VAL . 2.7 mm? -60.73 -25.09 66.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.0 m -74.25 -39.92 62.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.636 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.25 -31.16 67.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.043 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.587 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.3 mm100 -71.47 -38.37 71.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.197 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -73.22 -44.34 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.849 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.6 mmm -82.3 -49.79 9.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -94.6 -19.57 20.35 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.7 m-20 57.99 42.79 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -154.59 150.04 27.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.853 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.7 110.47 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.06 151.56 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.22 -77.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.039 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -176.07 104.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -171.19 100.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -155.02 80.79 4.31 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.28 119.61 6.4 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.653 2.235 . . . . 0.0 111.824 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -81.16 100.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.142 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -90.9 30.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.624 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.89 9.76 5.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.98 136.92 38.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.4 p -104.12 162.41 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -99.24 150.34 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -142.85 137.35 29.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.937 0.399 . . . . 0.0 110.989 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -158.23 155.53 29.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -103.29 122.28 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.361 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 148.03 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.2 p -89.3 130.03 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 111.246 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 55.9 tp -130.12 109.23 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.427 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 59.78 31.31 20.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.85 29.56 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.659 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -96.25 113.88 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.984 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.0 tt0 -76.35 126.15 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.36 170.59 19.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.79 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -108.05 150.25 27.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.39 134.89 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 21.9 t70 -116.72 113.66 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.83 123.66 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.0 tm? -126.43 116.62 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.289 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.82 135.77 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.1 p -102.78 -28.01 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.48 -171.11 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.11 107.81 3.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mp -82.46 -56.85 3.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.675 0.274 . . . . 0.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 64.53 -80.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.206 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.97 -34.46 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 33.2 m-85 -92.4 69.72 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 79' ' ' ARG . . . -77.4 -16.5 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.21 -30.76 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 55.5 mt -81.99 -27.36 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.498 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 72' ' ' LEU . 12.9 ptp180 -55.83 -33.73 64.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.08 -35.44 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.631 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -56.02 -34.5 65.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -65.66 -46.86 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -65.8 -17.5 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.382 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -82.03 -18.2 44.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.101 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 t -101.16 5.03 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.67 148.44 16.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -94.23 -45.64 7.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.576 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -93.87 160.06 24.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.124 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.54 133.59 32.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.33 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 124' ' ' LEU . 19.5 tp -125.09 106.68 10.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.6 tp -82.16 140.94 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.31 137.28 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 104' ' ' THR . 16.4 p90 -156.74 160.09 38.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.708 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 67.3 m -93.81 126.89 39.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 pt -60.99 -29.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.438 HG22 ' HG3' ' A' ' 129' ' ' LYS . 6.0 t -81.45 -20.89 39.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -101.84 96.95 7.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.25 -17.69 62.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -74.15 -27.6 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 110.547 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -76.63 -53.61 7.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.599 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.87 -41.74 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.585 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -72.92 -53.98 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.166 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -58.0 -33.76 69.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 93' ' ' PHE . 11.6 p -65.8 -31.47 72.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.04 69.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.85 -42.96 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.01 -25.8 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.1 tmt_? -49.77 -45.89 50.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.561 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.42 -39.64 70.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 13.5 mm-40 -59.07 -30.53 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.12 -43.24 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -67.27 -26.29 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.825 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 25.1 mmt180 -53.55 -50.88 64.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.81 0.338 . . . . 0.0 111.817 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.602 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.35 -11.34 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.67 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.9 mmtt -123.23 58.99 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.94 -12.79 59.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.433 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.37 6.45 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 22.0 mm-40 -115.22 162.34 17.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.87 -57.44 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.584 ' HZ3' ' H ' ' A' ' 184' ' ' ASN . 46.3 mmtm -74.08 106.65 5.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.53 104.22 54.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 18.3 Cg_exo -66.38 109.2 1.53 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.455 2.104 . . . . 0.0 112.098 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 124' ' ' LEU . 54.8 tp -132.84 157.62 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 123' ' ' LEU . 28.6 tp -158.17 115.59 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.149 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -89.09 136.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 111.168 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.479 HG11 HG11 ' A' ' 168' ' ' VAL . 21.2 t -140.55 153.79 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.79 132.66 6.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.769 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -162.74 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 132' ' ' LEU . 36.0 mmtp 56.58 18.44 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.364 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.4 m -59.82 -17.06 33.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.29 12.97 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.656 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.0 mt -125.48 82.2 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.32 -21.42 60.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.468 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.58 -34.74 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.336 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.1 mtt180 -84.18 -1.78 55.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.087 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttm105 -61.29 107.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.99 -35.01 24.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.2 t -108.69 104.24 53.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.778 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.18 124.67 13.31 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 121.99 1.793 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.5 p -51.37 -44.09 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.305 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.0 pt-20 -54.8 -36.75 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.6 tt0 -75.13 -39.6 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.396 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.7 -28.6 69.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.818 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.4 mtt180 -67.96 -45.63 73.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.276 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -60.84 -46.37 90.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.493 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -65.65 -48.17 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.662 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.568 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -52.6 -43.83 65.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.588 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.89 -31.8 63.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.63 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.28 -48.07 62.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 35.8 m0 -63.92 -21.52 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.51 14.73 24.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.076 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.09 -179.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 0.0 111.48 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.02 131.14 55.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.062 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.5 t80 -96.1 136.71 36.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 111.418 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 90.1 t -132.85 149.79 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.91 137.57 32.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.369 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.3 p -139.17 157.39 46.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.45 . . . . 0.0 111.382 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.1 m -127.0 109.5 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.9 -6.6 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -93.56 -51.05 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.411 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 34.5 p -84.73 -7.13 59.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.411 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.411 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.4 ppt_? 37.76 35.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.887 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -75.93 -55.97 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -106.71 12.25 29.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.64 HG23 HD12 ' A' ' 30' ' ' LEU . 10.0 p -65.37 -43.04 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.313 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.0 m-20 -73.22 -25.42 60.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 111.263 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.13 -32.29 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.068 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -74.7 -26.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -74.93 -45.67 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.778 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -71.87 -36.2 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.21 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.076 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.8 -32.4 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.3 ttm -55.72 -45.52 77.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 57' ' ' LEU . 86.2 mtm180 -60.93 -34.73 75.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.81 -51.71 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 74.8 mt -57.59 -31.39 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 62.6 mtp180 -72.5 -59.89 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.644 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.0 m -87.19 -59.13 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -56.95 -54.28 48.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.2 tptt -62.98 -50.8 69.35 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -70.38 -12.33 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.718 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 37.6 t -66.64 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.667 0.27 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 54.48 90.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ASN . . . . . 0.584 ' H ' ' HZ3' ' A' ' 120' ' ' LYS . 49.8 t30 -101.11 111.01 23.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.67 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.057 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.42 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.85 131.32 34.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -105.67 112.08 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -104.01 154.02 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.66 145.16 47.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.57 121.54 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.58 105.72 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -65.14 98.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -105.49 160.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 172.79 -157.92 27.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.836 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 29.3 t -59.6 -56.07 26.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.0 0.428 . . . . 0.0 110.973 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.19 -7.69 1.19 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.42 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.53 64.71 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.078 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 93' ' ' PHE . 38.3 t -115.8 -50.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 111.463 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.01 42.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.213 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.3 OUTLIER -53.02 -49.68 65.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.393 . . . . 0.0 111.323 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.9 p -54.57 -30.13 53.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.586 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.96 -51.85 67.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.24 -25.23 65.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 31.6 m -74.04 -42.21 60.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.152 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.65 -32.13 70.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.742 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.551 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.9 mm100 -69.13 -37.64 78.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 111.17 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -73.63 -49.12 27.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mtp -82.1 -50.02 9.53 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -104.51 -5.75 21.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 5.5 p-10 40.36 64.36 0.94 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.196 0.522 . . . . 0.0 110.977 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -159.79 128.86 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.754 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 70.1 t80 -80.08 109.07 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -107.48 150.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.05 -78.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.538 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.81 -153.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.324 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.2 t80 67.37 92.22 0.08 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -144.84 68.47 14.32 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.39 153.38 77.18 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.617 2.212 . . . . 0.0 112.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 48' ' ' ALA . 33.4 m -126.75 103.15 7.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -91.07 28.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.421 ' H ' HG22 ' A' ' 46' ' ' THR . . . 62.54 12.84 5.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.427 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.25 128.34 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.762 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -87.22 170.0 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -111.91 166.45 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -144.72 146.85 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -166.48 138.24 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.43 114.9 27.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.04 142.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.9 p -83.26 142.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.3 109.45 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 t70 59.52 31.01 20.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.62 -18.98 56.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.753 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -104.35 116.13 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -87.05 120.84 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.8 149.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.47 131.1 35.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.67 135.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -126.06 113.62 17.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 67' ' ' LEU . 65.4 mt -110.25 154.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.234 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -146.28 114.69 6.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.209 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.77 131.36 38.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.7 p -119.33 112.23 19.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.953 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -166.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.259 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.42 93.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.353 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 40.3 mt -76.77 8.56 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.72 0.295 . . . . 0.0 111.353 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.87 18.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.99 -32.44 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 45.1 m-85 -82.88 142.2 31.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.68 -36.41 57.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.91 -10.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.393 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 59.8 mt -66.37 -28.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 37.7 ptt180 -58.32 -35.64 72.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.22 -31.2 67.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -54.35 -44.68 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -57.67 -35.24 70.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.489 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.33 -24.13 37.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -81.66 -28.62 33.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.248 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -87.48 12.67 11.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.021 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.76 178.86 16.36 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -121.65 -50.95 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.41 154.69 19.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.35 133.37 38.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.985 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.8 mt -122.07 111.38 16.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.639 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.4 tp -82.94 118.92 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 t -124.13 136.17 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.798 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -150.31 159.14 44.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.433 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.461 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.7 m -100.31 146.63 26.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.185 0.516 . . . . 0.0 111.586 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.0 pt -76.21 -31.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.71 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.524 HG21 HD22 ' A' ' 132' ' ' LEU . 68.3 p -66.95 -28.97 68.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.79 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -111.43 97.34 6.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.67 -15.65 53.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.47 -26.71 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 79.8 p -70.57 -51.44 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.7 -36.16 61.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.656 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.2 p -72.67 -53.97 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.987 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.37 75.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.2 p -59.37 -31.76 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.81 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -67.92 -46.42 71.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.588 ' HA ' HE21 ' A' ' 110' ' ' GLN . 20.9 m-85 -62.07 -24.2 66.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -47.87 -53.57 15.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.21 -38.83 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.402 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' A' ' 107' ' ' PHE . 44.3 mt-30 -56.2 -36.72 68.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.171 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -43.01 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.93 -27.29 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.561 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -60.13 -50.61 73.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.83 -11.45 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.553 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.8 mmtt -127.35 34.53 4.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.8 59.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.62 -39.47 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -87.91 133.7 33.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.47 -34.5 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.347 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -89.18 110.08 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mm -119.64 106.58 41.82 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.2 Cg_endo -61.49 125.95 18.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.214 1.943 . . . . 0.0 112.009 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.0 tp -142.1 157.39 44.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 tp -161.77 132.69 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.112 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.589 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -108.84 143.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.987 0.423 . . . . 0.0 111.939 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.7 p -141.89 156.15 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.996 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.93 110.28 1.14 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.811 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 157' ' ' THR . 29.3 p-10 -86.0 -170.15 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 110.409 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 95' ' ' ILE . 25.9 mmmt 61.21 18.15 8.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -60.58 -19.94 59.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -10.61 41.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.046 0.45 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.7 mp -108.48 91.25 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.666 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.88 -54.94 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -7.55 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.858 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.593 ' HD3' HD23 ' A' ' 132' ' ' LEU . 65.0 mtp180 -118.58 22.61 11.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.689 0.281 . . . . 0.0 111.604 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 37.5 ttm180 -99.09 110.26 22.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.41 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -94.54 -23.99 17.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.435 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.47 100.48 14.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.87 140.72 81.31 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.076 1.85 . . . . 0.0 111.236 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.44 -43.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.375 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -53.83 -44.28 70.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.512 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.26 -29.2 47.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.342 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtm180 -77.53 -34.89 53.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.4 t -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -72.96 -45.31 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.839 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.78 -44.86 96.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.17 -32.28 55.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.344 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.67 -41.91 64.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.761 0.315 . . . . 0.0 110.655 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 18.9 m0 -71.95 -20.64 61.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.97 38.11 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.759 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.22 -179.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 111.355 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -125.8 131.76 52.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.849 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.589 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.7 t80 -97.47 141.31 30.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.426 . . . . 0.0 111.31 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 154.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.25 141.8 28.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.289 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 164' ' ' ASN . 40.4 p -150.92 164.74 35.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 0.0 111.854 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.8 t -138.91 112.09 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.294 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.99 0.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.465 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.17 -45.8 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.659 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 66.7 p -91.05 -6.0 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.027 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 34.82 42.85 0.08 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.77 -55.81 5.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.079 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.604 ' HB2' HG22 ' A' ' 157' ' ' THR . 66.9 m-20 -111.93 19.4 17.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.658 0.266 . . . . 0.0 111.475 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 33' ' ' GLN . 6.6 p -65.0 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.665 0.269 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -73.43 -14.68 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.82 -39.48 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.9 m -74.25 -27.57 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.63 -45.95 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.379 . . . . 0.0 110.705 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.01 -33.51 68.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.078 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.14 -52.08 65.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 122' ' ' PRO . 64.6 tp -62.68 -33.72 75.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.4 ttm -57.28 -46.24 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.646 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -64.02 -34.22 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 16.1 mm-40 -62.12 -51.64 67.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.625 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.1 mt -58.18 -32.01 43.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 181' ' ' MET . 79.3 mtp180 -70.18 -58.07 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.644 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.2 m -87.92 -59.25 2.29 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.6 tttt -58.1 -54.29 48.62 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 24.4 tptm -63.94 -47.72 79.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -68.19 -13.7 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -61.73 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.789 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 52.13 18.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.321 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.85 100.53 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.023 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.95 21.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.98 124.76 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -116.47 116.85 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.8 mttt -96.2 113.54 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 129.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 mm -108.94 118.41 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 89.0 mmm -70.94 87.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -95.63 163.34 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.26 -153.59 18.35 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.623 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.468 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 73.7 p -62.0 -45.5 93.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.13 -10.42 5.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.233 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.62 68.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.7 t -124.22 -71.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.14 57.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 27.9 mmtp -57.91 -47.99 81.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.142 0.496 . . . . 0.0 111.07 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' A' ' 31' ' ' THR . 12.3 p -53.74 -29.46 39.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.622 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.26 -52.78 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.008 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.778 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -65.38 -24.78 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.625 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 28' ' ' SER . 37.4 m -68.8 -41.43 78.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.373 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.25 -42.43 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.758 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.3 mm100 -65.95 -26.77 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.35 -51.42 17.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.7 ttm -82.2 -49.8 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.57 -20.52 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.6 m-20 53.48 31.99 13.26 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.609 ' HA ' HH11 ' A' ' 162' ' ' ARG . 10.3 tp10 -152.57 133.52 14.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.825 -178.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' N ' HE22 ' A' ' 33' ' ' GLN . 61.3 t80 -86.65 110.25 19.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.87 145.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.31 109.31 9.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -162.99 147.79 11.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.918 0.389 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -121.66 125.89 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.498 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -121.55 104.32 40.03 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.58 140.86 83.68 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 112.095 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.3 m -76.84 107.9 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.11 43.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.96 16.91 8.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.541 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -101.11 126.27 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -109.43 155.54 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.93 155.9 16.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.146 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -146.24 133.81 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.675 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.51 146.02 22.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -91.77 122.18 34.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -139.06 137.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.3 p -66.51 142.71 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -137.33 99.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.22 31.28 18.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.39 -43.29 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.839 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.18 117.96 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 111.165 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -73.65 121.98 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.98 147.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.82 166.0 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tt -142.6 122.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.6 t70 -98.27 113.53 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 31' ' ' THR . 84.1 mt -107.65 126.73 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -137.08 104.15 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.197 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.72 113.26 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.7 m -93.71 109.54 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -175.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.45 110.49 3.29 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 6.5 mp -72.88 -43.42 62.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.579 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 63.88 -81.32 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.446 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.53 -22.45 66.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.35 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.602 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.1 m-85 -112.01 71.9 0.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.623 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . . . -77.71 -17.23 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.367 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.91 -43.58 11.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.608 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.9 mt -66.95 -27.15 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.642 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 8.6 ptm180 -59.51 -29.2 67.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.914 0.388 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.99 -36.46 79.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.65 -34.55 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.552 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -64.45 -32.39 74.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.706 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -76.13 -15.24 60.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.37 -39.83 18.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -62.18 -23.04 66.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.13 155.23 16.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.7 -51.07 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.617 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.4 156.93 23.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.672 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HZ ' ' HZ3' ' A' ' 115' ' ' LYS . 20.8 m-85 -128.73 141.25 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 110.677 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -126.26 108.77 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.77 113.99 20.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 126' ' ' VAL . 3.8 t -123.36 124.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.4 p90 -136.9 168.85 18.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.554 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -112.56 147.74 35.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 96' ' ' THR . 30.7 pt -77.43 -37.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 0.0 110.767 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 132' ' ' LEU . 23.2 p -60.95 -14.29 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.51 98.98 5.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -62.95 -16.29 58.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.55 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.27 -26.62 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.248 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 88.1 p -70.09 -53.62 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.778 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.7 -34.31 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.878 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.6 -54.05 10.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.42 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.299 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.633 ' HB ' HD11 ' A' ' 91' ' ' LEU . 4.1 p -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.086 0.469 . . . . 0.0 110.636 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.44 72.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.978 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.54 -43.23 77.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 6.7 m-85 -60.54 -24.66 65.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.175 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.43 -43.28 34.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.01 -37.37 72.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.474 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 43.3 mm-40 -64.01 -27.35 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.31 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.68 -26.33 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.6 mmm180 -50.5 -50.67 52.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -65.72 -33.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HZ3' ' HZ ' ' A' ' 89' ' ' PHE . 24.4 mmtm -104.55 53.12 0.74 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.446 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.58 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.14 -40.53 96.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 63.64 158.39 0.08 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.61 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.2 t70 179.71 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.766 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.7 mmtt -145.35 85.71 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.862 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.98 109.14 22.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.66 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.7 Cg_endo -84.02 132.67 5.49 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.519 2.146 . . . . 0.0 111.667 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.0 tp -146.61 156.88 43.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 111.281 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -155.87 128.63 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.211 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.608 HG11 ' CB ' ' A' ' 147' ' ' ALA . 2.4 p -100.02 143.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.037 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 92' ' ' VAL . 7.6 p -151.05 147.61 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -121.88 107.47 1.19 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.944 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -82.5 -176.25 6.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.992 0.425 . . . . 0.0 110.606 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? 55.44 24.56 6.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.945 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.9 m -70.36 2.64 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.128 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.66 -20.84 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 135' ' ' ARG . 3.4 mt -101.4 86.54 3.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 111.015 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.424 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.2 mt-10 -73.13 -26.16 61.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -88.64 -15.5 34.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.5 mtt180 -110.59 13.29 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.452 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.9 ttm180 -77.24 112.25 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.95 -31.44 25.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.81 107.38 48.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.361 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.87 136.17 74.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.131 1.888 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -55.61 -47.08 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.396 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.3 mt-10 -61.38 -41.55 97.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.31 -35.48 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.57 67.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.2 mtt180 -64.16 -38.63 91.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.26 -51.74 54.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.608 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -66.54 -40.11 88.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.71 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.03 -32.1 53.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -53.13 -36.47 60.84 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -74.39 -27.73 60.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.2 31.87 3.42 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.148 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.3 -175.4 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.32 135.36 51.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.76 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HA ' HG13 ' A' ' 125' ' ' VAL . 40.2 t80 -100.9 143.9 30.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.124 0.487 . . . . 0.0 111.848 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.39 148.98 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.826 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.17 139.22 30.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 164' ' ' ASN . 66.6 p -143.79 164.93 29.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.0 111.663 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 69.4 m -140.46 109.95 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.407 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -60.61 -9.78 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.373 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -90.7 -36.19 14.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 49.1 p -86.4 -20.25 28.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.609 HH11 ' HA ' ' A' ' 38' ' ' GLU . 6.4 mtm180 51.06 28.51 3.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.484 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.28 -56.62 4.31 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.499 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.17 15.9 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.0 p -65.78 -40.4 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.451 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.13 -22.9 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -57.34 -43.95 83.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.199 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.0 m -69.11 -27.01 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.78 -48.44 25.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -72.17 -47.96 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.09 -45.76 79.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.451 HD22 ' HG ' ' A' ' 90' ' ' LEU . 60.3 tp -65.18 -32.76 74.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.74 -39.62 92.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -69.25 -35.9 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.834 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.14 -32.66 70.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 180' ' ' LYS . 93.3 mt -72.89 -55.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.652 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.476 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.91 -24.39 66.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.863 -179.06 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.5 m -89.86 -59.41 2.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.445 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.1 tttp -70.66 -54.68 10.97 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 176' ' ' ILE . 27.5 mtpp -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 41.0 mtt -70.21 -13.17 62.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.261 . . . . 0.0 111.144 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.3 t -70.2 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.973 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.17 97.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -87.89 116.65 26.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.543 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 48.6 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.043 -179.763 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.417 H5'1 ' H8 ' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.831 0.348 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -98.2 166.68 11.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.29 110.7 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.12 135.2 46.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 98.8 mttt -98.53 146.64 25.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -135.31 117.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.839 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.5 mm -100.88 105.83 18.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.8 tpt -70.5 89.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.183 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.8 p -101.52 162.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -179.04 -161.33 26.45 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 25' ' ' VAL . 31.0 t -59.71 -48.21 82.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.08 -28.93 0.52 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.8 38.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.615 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 22' ' ' SER . 71.8 t -78.72 -73.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 0.0 111.333 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' HD22 ' A' ' 30' ' ' LEU . . . -178.83 24.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 21.7 pttm -47.11 -45.36 22.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 111.217 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -65.56 -30.61 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.23 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.01 -52.55 59.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.91 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -61.0 -24.84 66.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.3 m -70.5 -45.65 65.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.581 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.98 -41.57 70.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.644 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.3 mm100 -56.79 -36.76 70.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.81 -25.64 61.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.847 0.356 . . . . 0.0 111.174 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -82.41 -49.26 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -115.5 -13.43 11.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.2 m-20 61.18 31.64 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.99 129.42 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.31 105.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -134.47 139.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.62 99.77 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -172.74 146.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -159.25 150.95 20.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.901 0.382 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 43.6 mm-40 -138.99 133.39 16.36 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.79 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 43.5 Cg_exo -57.53 143.45 94.55 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.438 2.092 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -83.73 151.08 25.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 47' ' ' LYS . 8.8 mtpm? -142.22 68.42 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.0 16.14 3.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.366 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -117.67 134.8 54.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.3 m -119.97 176.59 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 41.1 m-85 -90.64 153.41 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -147.14 130.31 16.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -160.12 143.69 14.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -82.55 130.26 35.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.66 150.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.51 127.43 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HH11 ' A' ' 177' ' ' ARG . 63.1 tp -130.38 95.2 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 57.44 31.17 19.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.626 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.44 -32.82 7.11 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.661 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.38 120.54 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.55 120.12 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.8 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 13' ' ' ALA . 26.8 m -133.51 146.58 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -86.5 144.81 27.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.08 146.04 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.3 t70 -127.94 113.64 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.713 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.533 HG12 ' HB ' ' A' ' 17' ' ' VAL . 80.2 mt -121.98 140.45 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -112.42 134.29 54.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.07 92.44 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.8 p -86.19 177.31 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.05 -177.54 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' HA2' HH22 ' A' ' 79' ' ' ARG . . . -75.32 104.43 1.75 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.605 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD13 ' HB ' ' A' ' 78' ' ' ILE . 90.1 mt -72.03 -46.71 56.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.694 0.283 . . . . 0.0 110.671 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 64.55 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.963 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -89.37 114.31 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.495 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HD2' ' H ' ' A' ' 78' ' ' ILE . 26.5 p90 179.66 161.84 0.89 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.75 -54.26 6.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.86 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.784 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 32.4 mm -86.2 -20.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.71 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' NH2' ' H ' ' A' ' 72' ' ' LEU . 38.0 mmt180 -56.04 -53.76 53.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.319 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 90.2 m-20 -59.38 -34.73 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.416 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -76.9 -29.38 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.515 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -83.02 -15.8 49.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.346 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.74 -33.45 31.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.305 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.1 m -92.73 13.97 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.211 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -122.44 161.11 16.75 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.696 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.548 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 16.2 mm-40 -110.58 -55.52 2.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.828 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.9 155.52 24.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.84 131.26 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.47 106.52 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 14.8 tp -82.62 133.36 35.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.43 130.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HB3' HG21 ' A' ' 104' ' ' THR . 35.5 p90 -141.43 141.43 33.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.636 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 p -85.4 139.99 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 129' ' ' LYS . 29.8 pt -76.82 -30.47 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.917 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.9 p -67.3 -17.26 64.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -126.45 107.15 10.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -62.83 -16.1 57.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.386 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.77 -26.75 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 0.0 110.612 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.2 m -68.15 -53.78 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.4 -35.41 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.908 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.0 p -72.49 -54.39 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.209 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.431 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.94 -40.63 94.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.694 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.3 p -55.68 -45.5 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 110.404 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.48 67.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.739 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.76 -29.23 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.919 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.61 -24.56 53.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.532 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -48.37 -41.08 27.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.99 -35.31 74.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -63.02 -40.53 98.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.422 HD11 HG11 ' A' ' 20' ' ' VAL . 93.4 mt -59.93 -41.7 86.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.436 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.04 -26.27 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -50.43 -51.32 47.64 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.716 0.293 . . . . 0.0 111.753 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -66.98 -36.75 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 111.314 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 76.0 mmtt -99.07 37.65 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.17 -19.7 65.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.234 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -106.64 2.47 25.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 32.1 tt0 -110.53 146.3 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.9 -66.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.277 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.31 121.79 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.096 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.9 mm -130.28 103.88 16.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' ' HD3' ' A' ' 180' ' ' LYS . 45.8 Cg_endo -68.26 96.3 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.285 1.99 . . . . 0.0 112.241 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.2 tp -119.19 157.54 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.3 tp -163.91 117.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.539 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -90.24 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 t -133.8 149.78 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.36 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.15 139.19 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.663 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -108.09 171.84 7.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.481 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.6 mmtp 61.44 18.65 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.156 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -59.39 -18.34 38.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.06 -4.13 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 110.597 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.513 HD13 ' HD3' ' A' ' 135' ' ' ARG . 54.4 mt -120.42 85.66 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.646 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.417 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 36.1 mt-10 -73.06 -31.25 64.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.45 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -78.16 -20.06 52.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.314 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.3 mtp180 -104.83 17.15 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.39 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.435 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.4 ttm105 -83.52 112.31 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -89.63 -27.44 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.1 104.97 32.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.76 128.95 32.46 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.17 1.914 . . . . 0.0 111.353 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 8.5 p -52.67 -44.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.271 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 140' ' ' VAL . 45.9 mt-10 -55.63 -46.96 77.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.46 -31.56 72.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.718 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.44 -28.54 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.926 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.7 mtm180 -74.78 -41.85 59.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -63.55 -36.6 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.303 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.511 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -76.83 -48.91 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.465 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.67 73.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.35 -32.2 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.2 -45.34 61.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.732 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 31.0 m0 -68.07 -23.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.35 18.45 11.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.973 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.15 174.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.369 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -116.96 128.06 54.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.565 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.1 t80 -95.06 141.11 29.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 111.37 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.79 149.33 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.94 138.95 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.086 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -145.32 152.22 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.824 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -116.66 109.53 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.38 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.23 -1.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.955 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -99.55 -42.63 6.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.686 0.279 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.422 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 82.3 p -92.2 -2.35 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.455 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 32.95 43.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.607 0.567 . . . . 0.0 112.053 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ALA . . . . . 0.454 ' C ' HD21 ' A' ' 164' ' ' ASN . . . -77.79 -55.79 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.548 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.475 ' N ' HD21 ' A' ' 164' ' ' ASN . 0.8 OUTLIER -111.91 15.74 20.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.65 -179.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.8 p -64.72 -48.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.69 -24.2 59.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.699 0.285 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -57.27 -41.52 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.829 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.3 m -71.94 -26.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.688 0.28 . . . . 0.0 111.397 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -69.91 -44.41 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -72.11 -30.22 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -52.83 63.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.59 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.5 -31.32 71.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.1 tpp -53.16 -45.09 68.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.004 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -69.27 -34.0 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.05 -48.96 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.436 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.8 mt -58.11 -32.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.597 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.506 HH11 HD23 ' A' ' 57' ' ' LEU . 27.6 mtp180 -75.87 -51.98 11.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.5 m -87.95 -59.34 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.63 -54.39 40.28 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.8 tptm -60.55 -48.82 80.09 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.2 mmt -71.86 -12.61 61.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.644 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t -60.43 -61.0 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.451 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 51.11 22.26 1.23 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 58.05 92.85 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.755 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.945 -179.823 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.28 152.29 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 tp -129.91 107.02 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.714 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -104.19 132.94 49.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -111.15 112.26 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -104.48 134.6 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.3 mm -112.54 111.98 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.3 mmm -62.62 97.73 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.327 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.4 p -103.67 164.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.484 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.03 -158.57 23.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.628 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.83 -51.12 61.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.05 -10.81 1.6 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.385 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.72 64.78 0.32 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.501 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.9 t -126.57 -45.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.88 41.85 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.628 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.5 mtmt -54.36 -28.36 42.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.641 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.554 ' O ' ' HB ' ' A' ' 31' ' ' THR . 82.7 p -82.54 -28.32 31.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.49 -52.66 64.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.352 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -63.29 -24.96 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.5 m -66.72 -53.44 33.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.557 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.46 -40.88 85.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.578 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -72.77 -25.57 61.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.2 tpp -81.99 -49.79 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -111.41 -7.68 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.0 m-20 57.73 30.59 19.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.931 0.396 . . . . 0.0 110.604 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -148.42 137.84 22.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.728 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -77.18 106.03 8.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.821 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -129.09 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -82.85 101.98 11.33 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.68 143.44 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -155.64 138.86 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -146.82 109.56 4.07 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.64 142.44 95.74 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.373 2.048 . . . . 0.0 112.005 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -132.18 153.26 50.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -106.56 -28.84 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -163.02 -4.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 48' ' ' ALA . 8.5 m-20 -72.54 133.68 44.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.4 t -128.36 174.45 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 53.7 m-85 -106.85 145.66 31.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -142.76 142.08 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.103 0.478 . . . . 0.0 111.448 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -159.35 146.92 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.448 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 99.4 mttt -86.64 127.7 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.0 111.544 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -138.33 144.8 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.677 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.8 p -79.43 144.41 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.5 tp -136.98 100.82 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 31.32 16.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.75 -38.22 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.687 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.38 113.99 26.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 tt0 -71.39 114.89 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.25 140.56 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 26.5 mt-30 -80.7 129.86 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -107.77 133.44 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.8 t70 -118.01 119.5 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 31' ' ' THR . 73.3 mt -107.79 115.93 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.408 . . . . 0.0 110.932 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tp -122.27 124.15 43.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.113 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.77 149.76 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -126.56 -85.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.64 -166.44 0.32 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.097 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.58 95.72 0.16 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.24 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.546 ' HB2' ' HG2' ' A' ' 79' ' ' ARG . 85.0 mt -87.94 19.4 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.742 0.306 . . . . 0.0 111.256 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.47 -8.04 52.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.54 -46.92 71.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.027 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -68.59 -172.27 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.15 -53.86 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.378 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.99 31.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.04 -17.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.546 ' HG2' ' HB2' ' A' ' 72' ' ' LEU . 81.7 mtm180 -51.08 -40.02 57.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.03 -38.18 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.65 -39.6 81.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.321 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -76.35 -36.85 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.452 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -71.8 -16.58 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.91 -22.66 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -90.51 8.08 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.03 132.31 6.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.277 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.82 -51.5 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 111.061 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -95.3 164.21 24.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.676 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.2 141.65 44.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 124' ' ' LEU . 15.6 mt -124.64 103.99 8.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -82.31 127.6 33.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.88 136.33 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.119 0.485 . . . . 0.0 112.045 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.625 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -147.25 141.35 26.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.152 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -78.71 143.11 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 111.256 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' A' ' 129' ' ' LYS . 25.5 pt -73.65 -32.79 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.768 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.3 p -76.03 -0.49 21.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.666 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -131.56 93.86 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.28 -16.95 61.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -73.39 -26.48 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 110.252 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -69.48 -52.02 30.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.434 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -56.52 -35.87 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 0.0 111.528 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.6 p -71.98 -53.68 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.83 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.618 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.9 p -55.72 -31.87 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.86 -46.63 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -57.84 -33.53 68.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.212 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -51.59 -43.0 62.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.18 -38.01 72.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -62.45 -28.54 69.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.78 -36.17 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.38 -25.28 66.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.238 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -50.8 -51.04 54.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.6 m -69.12 -12.99 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.61 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.7 mmtt -128.94 52.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -37.53 28.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.616 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.28 -51.23 69.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.414 . . . . 0.0 110.321 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 59.37 107.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -131.86 -47.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.597 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 34.2 mmtp -148.31 76.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.596 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.9 mm -77.29 114.46 40.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.992 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.494 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -88.09 126.27 2.0 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.783 2.322 . . . . 0.0 112.056 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 67.6 tp -146.61 162.85 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.727 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.483 ' HB3' HD23 ' A' ' 90' ' ' LEU . 43.0 tp -161.43 113.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.072 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.784 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -84.17 143.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.205 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 168' ' ' VAL . 13.2 t -148.91 153.15 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.02 127.46 5.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.003 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -96.56 -164.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.585 0.231 . . . . 0.0 110.456 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.693 ' HB3' HG12 ' A' ' 95' ' ' ILE . 9.6 tppt? 65.62 12.89 8.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.062 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.63 -14.86 9.34 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.54 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.37 -8.89 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.648 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 135' ' ' ARG . 34.8 mt -121.21 74.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.62 -25.11 66.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -85.8 -6.34 59.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.503 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.3 mtt180 -118.15 8.16 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.432 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.473 HH22 ' HG2' ' A' ' 156' ' ' GLU . 12.0 ttm180 -73.29 108.16 6.01 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.485 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.18 -31.72 33.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.392 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.87 107.08 41.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.56 131.13 42.56 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.994 1.796 . . . . 0.0 111.33 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -49.2 -45.91 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.361 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.24 -49.47 71.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.17 -29.88 71.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.69 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 89.3 mtt180 -77.56 -38.12 49.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.503 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.5 -48.6 32.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.993 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.784 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.71 -28.83 68.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.553 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.17 -32.18 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -51.99 -38.69 57.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -71.92 -24.69 61.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.8 7.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.409 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -176.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.029 0.442 . . . . 0.0 111.661 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -126.94 136.32 52.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.639 ' HA ' HG13 ' A' ' 125' ' ' VAL . 75.4 t80 -94.84 134.55 37.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.973 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.63 155.08 40.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.473 ' HG2' HH22 ' A' ' 136' ' ' ARG . 37.1 mt-10 -88.61 144.86 26.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.9 p -151.94 170.95 18.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.036 0.445 . . . . 0.0 111.853 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 37.9 t -150.73 115.28 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.54 0.43 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -99.85 -46.0 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 p -91.28 -4.41 55.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.429 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 35.41 38.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.528 0.518 . . . . 0.0 111.752 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.94 -52.28 9.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.872 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.19 13.7 21.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.838 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -63.54 -36.07 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.73 -27.28 61.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -60.29 -31.21 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.579 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 126' ' ' VAL . 2.5 m -74.57 -36.71 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 111.385 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.33 -37.62 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -71.73 -49.96 34.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.21 -48.94 73.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.314 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.5 tm? -60.28 -41.1 92.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.013 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.436 ' HB2' ' HE3' ' A' ' 173' ' ' MET . 44.5 ttm -56.74 -46.13 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.46 ' HG2' HD11 ' A' ' 57' ' ' LEU . 89.4 mtm180 -69.62 -40.2 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.75 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.29 -35.08 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.639 HD11 ' HA3' ' A' ' 88' ' ' GLY . 97.3 mt -72.93 -54.68 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 111.73 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 7.3 ppt_? -60.6 -26.25 66.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.622 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.8 m -87.41 -59.26 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.9 tttp -70.67 -53.94 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.6 tttp -61.15 -59.17 5.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.6 mmt -57.38 -13.92 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.767 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 46.9 t -68.98 -60.73 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 61.13 111.48 0.02 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.395 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -130.93 121.26 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.968 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.864 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.443 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.31 151.02 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 tp -123.51 105.87 10.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.205 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -104.52 114.19 28.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -101.62 107.63 18.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.379 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.66 139.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.421 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.0 mm -106.34 141.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.089 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 tpt -91.55 87.69 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -97.7 162.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.51 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 173.57 -160.57 30.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.653 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 84.4 p -61.72 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.829 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' H ' ' HZ1' ' A' ' 27' ' ' LYS . . . 127.25 -5.12 7.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.14 82.72 0.08 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 93' ' ' PHE . 10.9 m -140.95 -33.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.3 45.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.409 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HZ1' ' H ' ' A' ' 23' ' ' GLY . 52.5 mttp -55.93 -43.73 77.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.004 0.431 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.522 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.1 p -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.282 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.069 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -63.8 -24.57 67.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.1 m -67.12 -48.95 66.54 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.173 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.57 -44.46 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.46 -35.97 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.631 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -72.36 -30.11 64.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.435 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ttm -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -121.18 -10.34 9.0 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 162' ' ' ARG . 9.0 m-20 59.94 29.84 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.68 127.33 47.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -83.16 113.82 20.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.12 141.15 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.1 -52.03 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 128.96 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -119.34 158.61 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -107.91 124.8 33.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 144.39 73.17 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.215 1.943 . . . . 0.0 112.362 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -117.14 117.53 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -111.77 -39.08 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.89 4.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.74 132.41 38.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 m -112.3 163.51 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 56.8 m-85 -103.37 152.82 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.378 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -137.39 144.06 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.956 0.407 . . . . 0.0 111.258 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -157.8 158.14 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.38 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -110.21 124.12 51.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 111.337 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.38 142.61 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.5 p -98.47 146.2 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.023 0.439 . . . . 0.0 111.911 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 173' ' ' MET . 56.3 mt -123.72 94.65 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 54.9 30.88 14.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.464 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.88 -54.17 0.75 Allowed Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.519 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -80.09 118.67 22.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.801 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -92.35 131.37 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.98 154.89 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -84.62 142.51 29.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.249 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.6 tt -115.32 145.4 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.1 t70 -136.27 113.67 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.8 mt -106.43 137.3 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.202 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.43 106.02 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.32 131.23 34.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.2 p -107.76 123.42 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.5 -159.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.89 91.51 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.554 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -84.13 20.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.44 -20.81 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.55 -39.97 93.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -87.37 179.88 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.06 -54.14 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.36 71.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.006 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.9 mm -85.46 -19.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -54.73 -30.02 55.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.284 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -53.81 -32.57 53.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -72.99 -35.8 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.213 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.78 -26.91 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.75 -18.51 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HE ' HG12 ' A' ' 114' ' ' VAL . 29.7 ttm180 -83.95 -20.66 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.951 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.5 p -94.34 13.23 24.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.421 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -135.84 171.73 22.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.4 -53.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.648 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -92.2 163.13 27.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -138.39 136.87 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -122.0 106.09 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -83.28 96.12 8.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.244 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.696 HG23 HG13 ' A' ' 126' ' ' VAL . 13.7 p -109.29 134.56 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.982 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.7 p90 -143.24 -175.12 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.2 m -119.66 146.87 45.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.542 HD13 ' HE ' ' A' ' 136' ' ' ARG . 5.6 pt -78.72 -34.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.1 p -59.39 -20.48 55.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.369 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -123.13 104.18 9.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -63.05 -19.64 64.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.93 -25.88 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.439 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 16.4 m -66.48 -53.38 35.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.313 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -58.85 -35.45 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.07 0.462 . . . . 0.0 111.245 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -71.61 -52.61 17.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.491 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.79 -37.83 83.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.563 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.1 p -57.3 -38.25 73.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.124 0.488 . . . . 0.0 110.635 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.33 71.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.17 -44.78 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.409 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 9.9 m-85 -59.03 -25.01 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.209 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' A' ' 111' ' ' ILE . 18.3 ttt180 -50.4 -37.48 37.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.321 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.67 -46.45 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.424 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 107' ' ' PHE . 1.9 mp0 -56.43 -25.26 49.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.114 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 108' ' ' ARG . 93.5 mt -67.21 -45.05 87.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.87 -26.55 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.735 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.1 mmt180 -52.41 -50.53 62.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -70.57 -38.92 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.753 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.615 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -98.89 37.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.86 -26.81 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -90.12 -25.0 20.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.8 tp10 -83.49 141.9 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.986 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.19 -60.52 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.85 123.06 23.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.721 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 41.8 mm -123.03 104.97 35.03 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 28.4 Cg_endo -63.02 123.45 12.25 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.324 2.016 . . . . 0.0 111.91 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.8 tp -145.81 159.54 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 111.274 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.0 tp -160.83 128.65 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.475 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.636 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -101.7 142.53 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 92' ' ' VAL . 14.3 p -151.63 151.83 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.39 115.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 157' ' ' THR . 35.5 p30 -79.4 -160.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 61.76 13.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.57 0.224 . . . . 0.0 111.205 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.446 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.1 t -57.74 -13.99 5.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.7 -5.41 15.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 44.4 mt -123.54 85.17 2.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.9 -39.63 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.317 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.0 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.43 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.529 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.7 mtp180 -110.04 3.59 20.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.542 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.37 109.65 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -89.81 -27.64 19.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.483 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 75.9 t -94.04 104.44 13.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 21.5 Cg_endo -62.75 128.2 22.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.094 1.863 . . . . 0.0 111.468 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -48.32 -42.77 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.456 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.11 -49.59 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.5 -35.04 79.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.03 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.2 mtm180 -77.62 -31.23 52.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -65.58 -52.11 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.387 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -47.39 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.57 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.22 -46.65 89.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.962 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.93 -32.61 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.346 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.86 -39.78 59.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.844 0.354 . . . . 0.0 110.452 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.421 ' NE1' ' HD2' ' A' ' 108' ' ' ARG . 8.9 m0 -73.67 -24.9 60.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.24 16.5 13.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.928 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.62 174.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 111.462 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.07 141.95 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.772 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.636 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.9 t80 -102.84 140.73 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 111.415 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.19 155.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.98 147.23 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 26.6 p -148.48 169.0 21.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.482 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.8 m -141.16 111.68 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.597 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.94 -0.45 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -99.18 -41.56 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -94.27 -7.51 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 37' ' ' ASP . 6.7 ppt_? 35.99 36.52 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.233 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.85 -55.62 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.813 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.89 18.08 19.17 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 30' ' ' LEU . 7.5 p -66.61 -42.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.716 0.293 . . . . 0.0 110.897 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.1 -14.75 61.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -58.73 -39.85 82.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.589 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -76.85 -26.84 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -72.83 -45.6 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.694 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -72.04 -32.2 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.25 -51.22 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.2 tm? -60.49 -36.9 79.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.278 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 57' ' ' LEU . 44.4 ttm -57.65 -44.44 85.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.59 -37.38 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.2 -51.02 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.648 HD11 ' HA3' ' A' ' 88' ' ' GLY . 73.1 mt -58.11 -31.94 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.272 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -73.54 -53.07 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.681 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.4 m -87.72 -58.92 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -58.02 -53.92 52.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.9 tttm -64.88 -54.89 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 51.3 mtt -61.41 -17.94 56.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.509 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t -63.55 -57.03 11.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 61.22 174.94 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -55.61 -64.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.102 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 137.9 31.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -120.45 107.47 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.31 139.25 39.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 61.1 mttm -124.49 115.9 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.291 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.1 133.19 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.277 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.7 mm -109.71 114.58 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.6 mmm -65.18 96.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -100.65 167.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.749 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 175.05 -156.53 22.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.723 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 28.7 t -61.52 -41.3 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.958 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.77 -6.57 4.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.7 40.48 0.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 22' ' ' SER . 79.3 t -95.47 -50.31 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.635 0.255 . . . . 0.0 111.361 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.61 37.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.4 mttt -48.98 -34.91 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.449 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.5 p -80.87 -28.78 35.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.807 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.56 -53.27 60.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.5 mm? -63.33 -24.49 67.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 44.3 m -67.46 -56.06 11.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.892 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.54 -40.59 75.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.292 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -59.41 -42.57 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 111.223 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.81 -31.9 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mmm -81.6 -50.35 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.85 -6.97 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 58.1 77.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.014 0.435 . . . . 0.0 110.804 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -168.01 130.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -80.93 109.22 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.272 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.64 145.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.65 -25.86 7.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.36 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.08 163.27 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 t80 57.36 101.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.51 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -153.33 73.07 6.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.0 126.43 9.32 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.598 2.198 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.5 m -136.92 105.96 5.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -121.85 -67.03 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.82 -5.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.09 127.71 33.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -111.13 165.83 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -104.19 159.14 15.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -148.79 144.43 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -168.56 136.01 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 122.27 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.65 141.07 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 9.0 p -76.1 139.45 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.09 113.27 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.44 31.54 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.07 -32.16 5.83 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.555 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.69 115.14 27.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -74.85 114.19 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.034 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -121.77 145.97 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.05 134.21 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -106.27 138.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.577 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.4 t70 -126.27 113.64 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.409 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.34 149.7 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 111.614 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 69' ' ' THR . 2.1 tm? -130.12 122.09 27.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.902 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -46.35 -57.71 4.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.867 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.475 ' H ' HD13 ' A' ' 67' ' ' LEU . 24.4 m 65.04 101.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.16 -169.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.3 86.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -98.39 26.7 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.91 -177.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.498 ' H ' HH21 ' A' ' 79' ' ' ARG . 7.3 m-20 60.48 -147.32 0.45 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.666 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 65.45 173.17 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.969 0.414 . . . . 0.0 111.251 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.06 9.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.81 22.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.534 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.8 mt -57.43 -19.48 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.935 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.498 HH21 ' H ' ' A' ' 74' ' ' ASP . 89.6 mtt180 -53.98 -45.55 71.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.83 -36.79 82.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -56.3 -39.84 73.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.406 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -68.81 -38.76 80.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.339 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB2' HG11 ' A' ' 114' ' ' VAL . 24.0 m-85 -68.46 -20.61 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -79.44 -6.86 57.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -93.14 0.19 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.6 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -149.32 150.1 22.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.12 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 39.7 mt-10 -85.86 -47.39 9.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.872 0.368 . . . . 0.0 110.607 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 166.09 33.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -139.55 136.25 34.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.9 102.17 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.81 114.39 21.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 126' ' ' VAL . 85.2 t -121.84 139.16 49.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.6 p90 -146.9 154.76 41.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.94 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.46 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 75.0 m -94.17 134.26 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.411 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 33.4 pt -65.91 -21.32 28.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 132' ' ' LEU . 24.4 p -81.0 -47.63 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.008 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.67 101.79 11.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 102' ' ' THR . 58.7 t-80 -62.7 -18.14 61.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.24 -26.91 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.734 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 24.1 m -70.4 -53.87 14.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.531 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.26 -44.14 67.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.883 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 98' ' ' HIS . 2.5 t -72.46 -53.1 13.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.423 ' H ' HG23 ' A' ' 102' ' ' THR . . . -57.47 -41.73 81.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.852 0.358 . . . . 0.0 111.43 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 91' ' ' LEU . 9.6 p -54.96 -34.69 63.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.199 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.01 71.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.46 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -68.23 -45.21 73.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -59.21 -25.05 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -49.3 -49.86 41.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.281 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.63 -29.45 65.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.381 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.63 -27.58 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.14 -40.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.474 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.4 -26.65 66.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -50.93 -51.14 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.83 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 83' ' ' PHE . 13.5 m -69.5 -52.12 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.985 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -85.98 39.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -6.8 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.49 -18.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.084 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -93.99 145.15 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.24 -37.93 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.555 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -99.65 105.24 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.6 mm -99.78 105.28 33.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.424 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.24 122.75 10.57 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.299 1.999 . . . . 0.0 111.897 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -140.48 155.06 46.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.39 122.94 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.11 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 147' ' ' ALA . 4.6 p -97.63 143.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.501 . . . . 0.0 111.826 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 168' ' ' VAL . 22.0 t -139.99 127.21 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.307 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.99 123.55 7.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.917 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -93.3 -168.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.46 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 70.1 mmtt 58.92 18.23 6.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.4 m -65.41 -12.67 54.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.34 9.64 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 30.0 mt -128.33 82.02 2.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.74 -28.14 62.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -84.67 -40.65 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 78.6 mtp180 -78.92 0.18 28.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.411 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 39.3 ttm180 -64.47 111.77 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -87.75 -33.18 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.528 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -105.58 117.15 58.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.57 124.51 14.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.794 1.662 . . . . 0.0 111.421 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -51.44 -43.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.184 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -63.23 -38.28 90.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.59 70.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -72.57 -34.28 67.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.185 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -65.79 -53.25 42.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.444 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.565 ' HZ3' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -61.81 -47.49 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.27 -47.29 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -51.4 -31.69 23.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.528 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 151' ' ' GLY . 20.0 mm-40 -51.97 -43.21 63.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.565 ' HE1' ' HZ3' ' A' ' 146' ' ' LYS . 7.4 m0 -71.03 9.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.95 25.88 75.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.272 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 150' ' ' TRP . 20.0 m -121.72 162.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 111.638 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -104.46 126.02 51.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.482 ' HA ' HG13 ' A' ' 125' ' ' VAL . 19.0 t80 -95.36 130.42 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.985 0.422 . . . . 0.0 111.104 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.3 t -123.52 150.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.23 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.42 139.92 30.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 164' ' ' ASN . 40.3 p -146.9 166.44 26.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.104 0.478 . . . . 0.0 111.657 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.438 ' HB3' ' OG1' ' A' ' 161' ' ' THR . 36.3 t -139.51 112.58 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.997 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.49 -6.3 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.845 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -96.9 -34.95 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 111.215 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 158' ' ' SER . 58.6 p -97.96 -9.04 26.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.467 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.5 ppt_? 34.08 41.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.641 0.588 . . . . 0.0 111.853 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.55 -55.62 5.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.364 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 157' ' ' THR . 0.1 OUTLIER -111.97 12.55 20.74 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.761 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 168' ' ' VAL . 46.5 t -64.68 -46.82 91.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -73.29 -15.18 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -69.14 -45.34 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.354 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 126' ' ' VAL . 35.1 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.482 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.413 ' O ' ' HG3' ' A' ' 173' ' ' MET . 14.3 m-85 -66.53 -47.5 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.509 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -68.52 -35.14 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.454 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 19.2 t70 -62.46 -31.94 72.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 175' ' ' GLU . 57.5 tp -72.53 -47.15 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.401 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 28.8 mtm -55.39 -35.82 65.73 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.743 0.306 . . . . 0.0 111.509 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 74.8 mtm180 -69.76 -47.91 61.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 172' ' ' LEU . 11.4 pt-20 -67.76 -25.36 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.54 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 79.1 mt -71.18 -55.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.341 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 181' ' ' MET . 61.3 mtp180 -59.44 -28.78 67.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.5 m -86.85 -59.16 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 182' ' ' SER . 82.5 tttt -70.9 -53.95 13.22 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 62.8 tttm -58.29 -52.97 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -65.88 -15.34 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.638 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 35.4 t -63.56 -60.74 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 111.107 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 58.92 -178.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -138.26 104.88 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.027 -179.837 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.427 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 158.24 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -123.99 113.98 19.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -110.49 154.14 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.781 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.38 141.26 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.21 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.568 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -132.38 115.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mm -99.46 106.23 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 78.6 mmm -59.94 91.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.204 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.7 p -98.84 159.71 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.193 -179.418 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.66 -161.29 24.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 80.0 p -60.2 -40.54 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.416 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.08 36.98 0.68 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.308 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.96 39.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.578 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.6 t -99.66 -73.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.13 43.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.145 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -53.67 -46.78 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.224 -179.84 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.8 p -51.0 -29.91 13.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.11 -52.72 62.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.798 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.07 -25.11 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.826 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.4 m -65.49 -46.43 79.77 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.33 -44.43 65.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.496 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.6 mm100 -56.99 -41.79 79.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -72.54 -25.01 61.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.785 0.326 . . . . 0.0 111.517 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.8 ttm -81.46 -46.01 15.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -123.86 -7.09 7.88 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 58.4 44.17 18.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.481 . . . . 0.0 110.597 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -154.11 127.53 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.023 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.44 143.19 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.55 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -80.73 18.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -116.36 175.96 5.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -158.42 -176.91 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.746 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.85 134.2 11.36 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 151.4 35.17 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.491 2.127 . . . . 0.0 112.233 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -68.58 103.11 1.61 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -97.84 27.11 4.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.86 15.38 8.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -107.77 131.28 54.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -87.49 175.15 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.244 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -123.87 154.98 38.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.572 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 80.9 mtm180 -142.38 145.4 33.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.386 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 39.2 ttpt -151.16 154.64 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -98.77 128.97 45.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.57 146.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.456 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.5 p -106.78 141.32 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.951 0.405 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.84 103.67 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 56.18 31.21 17.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.232 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.47 -46.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.064 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.85 114.05 15.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -91.34 114.15 26.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.41 163.18 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.307 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.9 139.69 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 13.6 tt -110.12 139.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.762 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.5 t70 -131.01 122.59 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG12 ' HB ' ' A' ' 17' ' ' VAL . 92.2 mt -125.71 128.54 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -101.2 112.66 25.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.61 140.27 42.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -161.85 150.31 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.29 -176.57 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.88 109.16 1.89 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.335 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 74.6 mt -64.2 -12.91 45.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.57 -24.72 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.09 -24.53 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.245 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -85.12 155.36 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.875 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.35 -51.19 12.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.294 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.45 1.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.13 -16.72 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 62.1 mtm180 -51.48 -40.96 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.84 -31.77 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.469 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.05 -36.84 82.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.897 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -77.61 -41.7 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.47 -26.5 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -73.43 -15.97 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -104.99 9.65 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.16 138.81 12.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.767 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -86.44 -54.79 4.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.58 158.7 20.37 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.29 135.96 43.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.594 0.235 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -125.55 105.28 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.843 179.489 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.7 tp -82.23 119.28 23.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.668 0.271 . . . . 0.0 110.281 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 126' ' ' VAL . 8.8 t -133.29 138.87 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.902 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 25' ' ' VAL . 12.8 p90 -145.27 171.02 15.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.345 178.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' HG13 ' A' ' 25' ' ' VAL . 56.0 m -107.68 137.94 44.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.249 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.472 HD13 ' HE ' ' A' ' 136' ' ' ARG . 17.6 pt -64.99 -35.79 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 179.209 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 p -66.97 -14.34 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -119.62 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.709 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -63.13 -16.44 60.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -73.47 -26.48 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -71.49 -50.35 32.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.859 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -50.76 -33.6 23.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 111.934 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -72.78 -53.76 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.818 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.4 -36.38 83.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.6 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.6 p -58.1 -33.13 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.77 68.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.854 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.19 -49.78 40.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -53.62 -30.64 43.65 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.001 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -50.23 -41.09 49.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.689 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.25 -45.95 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.4 -28.62 59.86 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.86 -43.0 87.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.289 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.71 -26.43 66.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.765 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -53.35 -50.53 64.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 10.3 m -70.59 -44.34 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.006 -179.102 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -94.59 34.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.18 -27.18 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.69 -32.87 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.37 168.99 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -120.43 -33.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -93.13 106.66 18.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.527 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.84 104.61 50.85 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.358 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' HE3' ' A' ' 180' ' ' LYS . 40.6 Cg_endo -66.94 132.07 27.23 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.333 2.022 . . . . 0.0 112.014 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.9 tp -148.49 155.2 40.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.008 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 90' ' ' LEU . 28.9 tp -162.24 129.23 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.285 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -95.25 141.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 111.026 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 92' ' ' VAL . 21.7 t -137.11 151.87 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.87 103.97 0.51 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.1 p-10 -81.26 -166.22 1.11 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 63.22 12.74 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -60.22 -14.3 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.17 -7.32 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.555 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 135' ' ' ARG . 55.6 mt -116.41 80.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.718 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.88 -17.18 62.73 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.47 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.9 pt-20 -93.48 -6.83 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.471 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.47 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.4 mtt180 -122.05 15.5 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.369 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.472 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.7 ttm180 -77.28 108.25 10.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -84.97 -31.69 23.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.312 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 48.5 t -103.68 101.03 21.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.569 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 11.6 Cg_endo -55.98 142.55 84.93 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.177 1.918 . . . . 0.0 111.208 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.3 p -55.34 -48.42 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.759 -179.253 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.7 mt-10 -54.9 -49.71 70.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.544 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.4 -36.41 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.757 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.1 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -77.61 -32.61 53.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -66.31 -46.84 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -44.31 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.552 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -63.33 -41.19 98.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.89 -31.68 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.03 -44.45 61.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.622 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.28 -23.0 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.11 28.62 5.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.19 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.15 -178.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.197 0.523 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.34 145.3 50.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.2 t80 -107.31 137.65 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.315 0.578 . . . . 0.0 111.814 -179.033 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.13 149.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.01 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 70.7 p -143.89 165.45 27.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.478 -179.195 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.1 p -146.0 110.92 5.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.552 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.75 -4.3 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.814 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.89 -54.52 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 p -94.03 1.43 56.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.496 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 32.31 48.93 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.9 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.72 -56.03 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.094 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -111.99 11.63 20.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -63.52 -43.19 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.795 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.3 m-20 -73.86 -21.96 59.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 167' ' ' LYS . 34.1 tptt -65.04 -41.97 94.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.706 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 165' ' ' VAL . 13.7 m -69.99 -27.25 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.794 0.33 . . . . 0.0 111.706 -178.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -75.28 -47.71 26.65 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -70.21 -41.44 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.419 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.36 -42.63 92.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.33 -32.41 68.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.5 ttm -62.47 -48.73 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -62.07 -31.05 71.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 86.4 mt -72.84 -54.48 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -52.18 -36.35 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.7 m -86.74 -58.95 2.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 83.8 tttt -70.41 -54.76 11.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.075 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 4.7 tppp? -57.33 -47.02 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.0 mmt -72.6 -13.0 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.0 t -64.81 -60.91 2.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.734 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 59.16 -178.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.186 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -112.43 -11.41 13.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.3 pttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.068 -179.74 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.36 141.9 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 HE21 ' A' ' 63' ' ' GLN . 1.8 tm? -107.63 107.18 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.76 122.72 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -105.11 117.94 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.988 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 134.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.552 HD11 ' HA3' ' A' ' 86' ' ' GLY . 28.4 mm -99.02 131.84 45.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tpt -85.15 95.67 9.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.564 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 1.9 t -83.89 167.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 173.53 169.17 35.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.695 179.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.9 t -58.48 -67.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.118 0.485 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.99 -28.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.118 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.2 39.34 1.25 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.425 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 22' ' ' SER . 74.9 t -88.06 -62.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.687 0.279 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.42 43.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.726 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptpp? -54.64 -37.35 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 110.875 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' A' ' 31' ' ' THR . 69.7 p -66.95 -30.0 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.119 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.61 -52.44 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -60.17 -24.65 64.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.095 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.1 m -74.09 -44.33 54.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.789 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.68 -38.95 73.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 mm100 -59.12 -37.85 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.976 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.67 -25.32 61.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.478 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 tpp -82.02 -49.61 10.05 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -108.51 -10.37 15.27 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.0 t70 60.03 31.99 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 110.519 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.08 151.94 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -90.39 105.98 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.46 151.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.978 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -112.92 117.39 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -134.62 -40.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 59.16 99.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -143.21 98.88 5.47 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.7 157.68 22.72 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.474 2.116 . . . . 0.0 112.094 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.609 HG21 ' H ' ' A' ' 69' ' ' THR . 13.7 t -113.4 155.65 24.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -126.13 -35.22 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.65 -7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.6 m-20 -80.51 133.68 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.9 p -130.0 176.58 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.018 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -104.85 149.6 25.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -144.01 129.66 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.892 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.41 139.95 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 60.9 mttp -85.64 126.62 34.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.72 137.29 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -67.41 132.45 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 174' ' ' ARG . 55.1 tp -134.17 107.04 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 56.27 31.34 18.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.91 -29.63 12.07 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.98 114.9 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.802 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.1 tt0 -74.4 118.15 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.34 147.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.264 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.552 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -82.29 129.52 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -108.88 138.1 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -120.19 113.81 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.4 mt -114.7 133.03 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.92 134.51 51.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.6 -43.49 89.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.609 ' H ' HG21 ' A' ' 46' ' ' THR . 73.1 p 51.74 -172.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.433 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.5 -175.85 0.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.2 100.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.181 179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 65.6 mt -82.34 21.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.669 0.271 . . . . 0.0 111.369 -179.505 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.78 18.55 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.09 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -57.85 153.61 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.51 -53.85 7.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.13 -5.18 1.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mt -67.85 -19.85 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 11.3 ptp180 -59.01 -37.15 76.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.73 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -53.93 -34.82 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -65.38 -45.63 83.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.304 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -65.78 -32.04 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.772 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -77.93 -7.95 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -96.66 5.97 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.552 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -138.94 167.05 25.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.575 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 41.4 mt-10 -106.86 -40.6 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.686 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -98.15 160.04 20.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.646 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -135.94 135.34 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.63 0.252 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 124' ' ' LEU . 28.0 tp -130.28 106.37 8.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.974 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.7 tp -83.06 138.81 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.688 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 126' ' ' VAL . 88.9 t -142.42 131.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 0.0 111.621 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.2 p90 -138.32 158.07 45.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.541 178.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.3 t -99.03 144.07 28.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 36.0 pt -77.26 -33.97 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.955 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -67.46 -10.62 53.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.18 99.89 4.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -62.8 -16.17 56.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.268 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.27 -26.52 62.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 89.6 p -67.19 -53.65 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.64 -38.51 55.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.664 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 50.2 p -71.89 -54.27 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.178 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.93 89.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.586 ' HB ' HD11 ' A' ' 91' ' ' LEU . 33.1 p -54.36 -31.51 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.605 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -63.13 -34.64 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.172 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -49.07 78.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.549 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 111' ' ' ILE . 69.9 m-85 -56.59 -34.67 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.2 tmt_? -49.91 -50.66 45.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.49 -37.0 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.18 -26.8 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.401 -179.564 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.6 mt -63.21 -41.7 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.951 0.405 . . . . 0.0 110.715 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.07 -29.85 68.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -63.83 -50.98 66.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.447 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.0 m -66.35 -13.68 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -121.12 36.07 4.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -13.15 14.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -98.5 -23.23 15.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.4 tp10 -95.9 141.22 29.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.93 -49.21 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -76.52 107.46 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.1 mm -121.04 103.36 42.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.686 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 71.8 Cg_endo -76.92 123.83 7.04 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.488 2.125 . . . . 0.0 112.178 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.7 tp -135.69 161.38 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 90' ' ' LEU . 51.7 tp -165.68 127.88 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.224 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.7 p -101.32 143.33 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 0.0 111.46 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 127' ' ' GLY . 34.6 t -141.88 156.07 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -129.27 128.17 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.66 -170.5 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 60.15 14.61 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 136' ' ' ARG . 42.7 t -62.61 -14.9 48.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.15 -15.33 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HD3' ' A' ' 135' ' ' ARG . 39.5 mt -108.43 81.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.691 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.78 -17.49 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -91.88 -21.05 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.524 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.0 mtp180 -105.95 25.49 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.454 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.7 ttm105 -95.15 110.97 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.25 -31.8 22.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.6 107.53 40.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.283 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.59 130.96 35.57 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.001 1.801 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -48.35 -44.59 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -179.525 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.45 -47.77 75.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.38 -39.15 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.76 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.8 mtt180 -73.76 -38.49 64.69 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -63.09 -49.75 73.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -66.72 -43.59 83.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.817 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.11 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.267 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.06 -32.67 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -54.8 -38.66 67.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.447 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 22.1 m0 -70.36 -21.42 62.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.84 20.52 10.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.554 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.3 m -127.17 175.85 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.504 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -117.71 130.3 56.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.832 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.519 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.5 t80 -95.29 140.29 30.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.113 0.483 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.46 150.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.85 143.05 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.698 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 38.9 p -149.44 153.9 38.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.514 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.5 m -117.56 109.96 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.27 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.303 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -88.19 -34.07 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.7 p -100.89 -8.5 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? 34.95 37.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.565 0.541 . . . . 0.0 111.992 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.66 -55.65 5.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.124 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -108.9 13.05 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.555 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.7 t -68.98 -42.12 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.281 . . . . 0.0 111.111 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.03 -14.88 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -69.44 -31.83 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.0 m -76.81 -26.93 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.153 -179.583 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -72.06 -45.91 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -69.34 -36.9 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.48 -54.01 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.43 -36.06 82.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.8 ttm -56.96 -42.61 80.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 57' ' ' LEU . 93.8 mtt180 -67.99 -34.58 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.7 -33.39 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.3 mt -73.06 -54.97 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.425 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.467 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -57.35 -28.24 62.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.493 -179.23 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 61.2 m -88.21 -60.43 1.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.79 -54.54 9.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 54.6 tptt -58.01 -39.28 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.5 mmt -81.16 -14.58 57.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.8 p -65.0 -59.01 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 52.74 92.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -170.75 174.45 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.807 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.783 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 62' ' ' VAL . . . -103.55 177.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.4 tp -132.88 107.92 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.46 ' CD2' HG21 ' A' ' 62' ' ' VAL . 56.7 m-70 -104.24 115.11 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.81 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -93.76 117.45 30.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -107.16 128.89 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.18 132.96 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -83.92 83.69 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.715 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -90.84 153.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -175.51 -160.01 22.47 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.725 -179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.0 p -66.34 -46.94 75.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.643 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.82 -6.74 1.87 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.061 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.29 73.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.74 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' HE2' ' A' ' 27' ' ' LYS . 18.6 m -129.64 -20.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.841 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.37 49.54 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.923 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -60.71 -43.48 97.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.097 0.475 . . . . 0.0 110.411 179.817 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.2 p -57.67 -29.26 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.142 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.97 -52.26 66.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.91 -179.262 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -62.11 -24.83 67.37 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.627 HG23 HG21 ' A' ' 66' ' ' ILE . 86.5 m -73.43 -41.54 63.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.69 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.759 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -66.26 -28.71 68.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 111.333 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -73.54 -53.52 10.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.873 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 ttm -82.38 -49.72 9.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -89.17 -26.22 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.1 m-20 57.2 42.94 24.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.047 0.451 . . . . 0.0 110.217 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.09 141.01 21.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.204 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.93 106.94 19.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.663 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.7 p -134.94 151.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -83.16 7.17 16.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.569 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.4 t70 -93.43 139.07 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.062 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.28 171.8 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.25 124.2 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.767 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.35 122.6 12.07 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.366 2.044 . . . . 0.0 112.356 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.9 m -91.94 136.63 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.6 ttmp? -131.08 -46.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -162.17 -11.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' H ' ' H ' ' A' ' 48' ' ' ALA . 14.7 t70 -76.35 134.32 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.5 t -119.02 173.64 6.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -115.39 158.59 22.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -143.93 138.47 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -152.64 156.37 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -115.48 123.31 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.22 147.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.3 p -79.03 146.18 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.42 111.4 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.95 31.33 20.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.557 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.18 -19.64 45.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -106.78 114.6 28.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.5 tt0 -78.58 144.28 35.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.46 HG21 ' CD2' ' A' ' 15' ' ' HIS . 13.5 p -146.1 153.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.76 143.46 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.39 132.35 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -119.64 116.18 25.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.684 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 31' ' ' THR . 82.4 mt -109.89 128.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 111.365 -179.6 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -125.2 113.94 18.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.134 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -78.77 117.16 19.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.2 p -102.08 117.5 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.83 -176.42 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.94 96.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.679 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.3 mt -78.14 6.07 8.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.561 0.219 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -50.94 -30.03 13.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.302 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -93.63 -151.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.759 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 67.18 155.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.9 -54.16 6.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.598 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.38 11.21 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.323 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.14 -17.44 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -55.26 -42.5 73.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.65 -31.34 47.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.338 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.37 -49.3 77.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -60.42 -35.38 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.301 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -78.14 -25.74 47.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' N ' HG11 ' A' ' 114' ' ' VAL . 55.2 ttt180 -83.81 -17.27 41.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -88.32 7.83 30.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.31 142.9 11.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 12.6 mm-40 -89.88 -37.14 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.87 20.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.1 143.0 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.006 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -136.04 105.02 5.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.294 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' HB ' ' A' ' 104' ' ' THR . 18.8 tp -83.0 132.53 35.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.285 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 126' ' ' VAL . 25.2 t -131.92 119.61 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.687 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.5 p90 -126.96 141.29 51.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.91 0.386 . . . . 0.0 110.465 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.0 t -85.93 143.58 28.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.358 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.435 HD11 ' O ' ' A' ' 129' ' ' LYS . 5.0 pt -78.79 -32.95 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.684 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 p -59.39 -37.38 77.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.57 106.32 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -62.61 -16.41 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.699 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.56 -26.55 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.143 0.497 . . . . 0.0 110.079 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -65.51 -52.23 54.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -55.09 -37.27 66.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.768 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.22 -53.79 11.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.728 -179.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.66 -40.28 91.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 93' ' ' PHE . 14.8 p -59.32 -40.6 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 178.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.93 65.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.765 179.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.66 -31.13 66.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.862 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -76.5 -26.51 55.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.484 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -54.26 -40.77 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.631 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.73 -28.98 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -73.53 -26.26 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.08 -37.93 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.34 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.77 -25.97 65.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.1 mmp_? -50.68 -51.15 52.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.1 m -66.63 -36.06 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -105.25 54.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -39.89 33.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.384 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.44 -47.63 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.402 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 56.19 105.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.199 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.61 -50.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.774 179.077 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.461 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.4 mmtt -146.15 81.7 1.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.639 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 19.9 mm -84.35 110.3 25.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.03 130.91 6.7 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.858 2.372 . . . . 0.0 111.043 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.4 tp -153.12 159.0 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.537 -179.072 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 23.9 tp -162.32 118.91 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.324 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.7 p -96.11 143.75 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.52 -179.296 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 92' ' ' VAL . 5.9 p -142.91 154.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.137 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -123.36 110.78 1.56 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.149 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.37 -166.36 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.1 mmtt 59.8 13.2 3.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.178 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -60.65 -13.3 13.74 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.144 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.86 -3.45 9.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.69 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.7 mt -120.36 85.06 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.9 -25.88 61.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.0 pt-20 -86.41 -6.71 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 132' ' ' LEU . 79.0 mtp180 -119.51 6.67 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.426 ' HD2' HH11 ' A' ' 136' ' ' ARG . 45.9 ttm180 -75.42 109.42 8.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.507 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -88.81 -30.24 19.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.547 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.43 106.16 37.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.198 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.81 128.56 29.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.014 1.81 . . . . 0.0 111.398 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -50.27 -43.96 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 43.8 mt-10 -60.76 -47.51 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.102 -179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.41 -35.37 75.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.93 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.2 mtt180 -64.9 -46.6 81.04 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -58.81 -50.3 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.483 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.494 ' NZ ' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -66.27 -40.29 90.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 -179.35 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.61 -31.59 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.373 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -32.37 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.892 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.13 -45.85 65.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.494 ' HE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.5 m0 -66.66 -23.26 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.89 25.63 6.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.556 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.44 174.13 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.086 0.47 . . . . 0.0 111.618 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -115.76 131.56 56.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.414 178.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.529 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -95.14 140.65 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 111.418 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.406 HG13 HG23 ' A' ' 126' ' ' VAL . 9.2 p -135.34 154.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.484 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.47 144.31 26.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 164' ' ' ASN . 34.2 p -150.73 165.09 34.54 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.044 0.45 . . . . 0.0 111.493 -179.711 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -139.62 111.94 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.418 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -66.96 -3.03 6.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -93.53 -42.39 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 70.7 p -94.61 -4.93 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.465 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 35.56 38.82 0.05 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.908 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.42 -55.66 5.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.113 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.402 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.8 m-20 -111.62 15.62 20.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.593 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -64.45 -39.41 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.75 0.309 . . . . 0.0 110.987 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.55 -21.74 60.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.65 -32.01 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 165' ' ' VAL . 6.3 m -77.61 -29.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -73.79 -43.53 58.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.779 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -72.06 -46.39 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.493 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 15.4 t70 -57.71 -41.31 81.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.5 tp -71.34 -32.51 68.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.744 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.0 ttm -66.18 -37.44 85.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 88.9 mtm180 -68.45 -47.79 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.915 -179.116 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.7 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.565 0.221 . . . . 0.0 111.521 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 81.2 mt -69.52 -53.49 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.1 ptm180 -71.67 -23.64 61.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.3 m -88.07 -59.82 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.461 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 57.1 tttp -71.14 -54.09 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.179 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 57.1 tttm -61.91 -59.43 5.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.462 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.8 mmt -54.28 -18.67 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.676 0.274 . . . . 0.0 111.612 -179.294 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 34.8 t -64.75 -61.08 2.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.254 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 54.41 89.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -84.5 -39.07 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.871 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.714 0.292 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.03 161.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -129.8 109.97 11.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.03 138.9 39.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 95.3 mttt -105.33 146.01 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 111.258 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.6 114.93 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mm -99.14 107.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.9 tpt -69.96 85.81 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.6 p -99.14 163.6 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.529 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 172.23 -160.59 32.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.7 t -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.29 34.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.215 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.31 51.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.94 14.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.9 58.43 2.01 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.393 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.6 mttp -76.62 -52.07 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 63.3 p -55.2 -30.36 59.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.278 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.7 -52.78 48.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.584 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.98 -24.78 63.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 28' ' ' SER . 35.5 m -70.28 -45.86 65.49 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.381 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.35 -29.71 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.455 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 13.4 mm100 -66.19 -36.27 82.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.96 -32.41 65.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.841 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.3 ttm -81.95 -49.4 10.33 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -103.34 -13.52 16.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.101 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 15.0 m-20 57.95 32.34 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.115 0.483 . . . . 0.0 110.061 -179.259 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.43 136.97 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.613 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -78.29 116.85 19.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 42' ' ' ASP . 40.9 t -133.68 150.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.53 19.47 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.127 -179.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.538 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.9 t70 -61.75 152.18 31.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -121.12 129.52 53.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -124.22 104.86 31.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.38 152.5 53.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 m -110.29 122.74 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.002 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -134.25 -65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -3.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.59 126.4 35.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.757 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -108.17 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -93.03 163.92 13.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -151.31 135.39 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -155.71 147.22 22.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.764 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -99.96 124.79 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.37 140.56 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.96 139.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HH11 ' A' ' 177' ' ' ARG . 65.7 tp -144.21 114.63 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.33 30.97 17.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.21 20.53 57.03 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.677 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.37 113.93 10.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.01 114.28 21.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.79 158.84 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.25 147.77 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.55 126.63 75.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -114.83 114.05 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.4 mt -116.56 144.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.585 ' HG ' ' H ' ' A' ' 69' ' ' THR . 41.3 tp -106.93 134.46 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.549 179.55 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.71 -32.17 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.585 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 62.2 p 51.61 -176.31 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.653 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -175.04 -172.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.07 101.93 0.31 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.318 179.6 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 63.5 mt -79.31 9.71 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.54 -16.87 55.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.7 -25.27 59.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -92.75 140.61 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -46.06 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.164 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.43 -1.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.355 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.25 -17.57 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.043 0.449 . . . . 0.0 110.763 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 8.0 ptp180 -58.4 -32.29 68.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.253 -179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.92 -31.06 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.362 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -49.88 -42.9 48.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -61.13 -32.87 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.578 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -84.22 -21.64 31.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -76.81 -35.5 57.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.177 -179.422 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -92.57 6.44 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.89 160.1 13.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 9.1 mm-40 -108.27 -59.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.373 . . . . 0.0 110.644 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -88.46 154.03 24.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.087 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -135.25 132.47 37.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.659 0.266 . . . . 0.0 111.057 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.92 102.27 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.909 179.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.09 121.29 26.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 126' ' ' VAL . 15.8 t -128.45 140.83 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.057 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -149.46 150.77 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.495 178.328 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 45.2 m -87.36 143.82 27.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.045 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.1 pt -75.75 -41.82 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.7 t -69.42 -10.13 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -118.62 96.72 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.98 -17.15 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.33 -26.19 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 19.5 m -70.16 -53.72 16.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.252 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -54.4 -36.13 63.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.17 -53.26 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.0 70.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.066 0.46 . . . . 0.0 110.81 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.69 ' HB ' HD11 ' A' ' 91' ' ' LEU . 21.7 p -71.86 -30.96 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.95 -41.91 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.917 -179.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HG3' ' HD1' ' A' ' 107' ' ' PHE . 7.4 pt-20 -73.57 -42.67 61.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.581 0.229 . . . . 0.0 111.261 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.465 ' HD1' ' HG3' ' A' ' 106' ' ' GLU . 8.5 m-85 -55.92 -27.86 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.769 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 3.2 tmt_? -53.85 -47.36 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.9 mt-10 -70.77 -38.21 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.86 -28.3 61.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.74 -48.2 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.28 -26.4 66.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 27.6 mmm180 -54.76 -50.23 68.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.285 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -72.74 -12.39 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.272 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -118.11 34.8 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -18.87 62.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.538 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -91.33 -19.49 22.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.7 168.46 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.78 -63.96 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -74.16 108.88 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.716 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -113.36 117.79 44.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.049 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.513 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.0 Cg_endo -68.98 97.14 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.133 1.889 . . . . 0.0 111.843 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 38.6 tp -122.52 156.22 34.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.687 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 24.2 tp -161.28 124.68 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.701 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.5 p -99.77 143.26 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.453 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 92' ' ' VAL . 7.9 p -144.42 156.59 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -119.57 109.59 1.69 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.188 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -80.13 -174.16 4.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.406 ' O ' HD11 ' A' ' 95' ' ' ILE . 10.0 mmmm 58.01 18.74 5.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.4 t -59.95 -17.88 41.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.374 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.02 -7.74 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.5 mt -109.43 79.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.7 -13.99 61.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -93.74 -24.07 17.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -100.7 0.12 38.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.4 ttm180 -66.84 107.95 2.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.32 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -94.74 -27.51 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.18 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.8 103.5 10.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.245 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.481 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 17.7 Cg_endo -59.3 126.57 21.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.04 1.826 . . . . 0.0 111.182 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -49.48 -43.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.497 -179.384 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.89 -49.58 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.271 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 36.1 tt0 -66.74 -31.63 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.543 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.46 66.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.5 mtt180 -72.45 -42.7 64.72 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.265 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -58.38 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.4 OUTLIER -67.71 -47.46 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 -179.578 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.701 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -58.59 -31.85 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.2 -32.71 73.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.83 -48.17 67.17 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.461 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 11.7 m0 -61.46 -25.8 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.639 179.582 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.67 7.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.63 159.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 111.81 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -98.12 136.03 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.797 178.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.8 t80 -100.8 142.99 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 111.484 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.31 155.11 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -93.41 144.74 25.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.2 p -150.34 152.56 34.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.65 -179.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 67.7 m -121.52 111.4 17.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.356 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.42 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -66.48 -11.33 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.634 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -87.67 -48.1 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.454 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 41.3 p -85.71 -6.57 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.18 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.576 0.548 . . . . 0.0 112.07 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.34 -56.22 4.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.873 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -112.41 17.64 19.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.591 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -65.02 -41.88 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.259 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -14.81 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.741 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.3 m -73.57 -26.87 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -70.94 -48.52 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.99 -40.77 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.303 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.01 -43.07 91.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.035 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.91 -32.92 70.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.86 -34.6 77.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.958 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.48 -47.28 76.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 71.9 mt -57.88 -32.42 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.37 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.468 HH11 HD23 ' A' ' 57' ' ' LEU . 57.2 mtp180 -75.12 -52.85 9.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.878 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 95.5 m -87.83 -59.21 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -178.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -60.53 -53.31 59.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -178.022 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 0.2 OUTLIER -64.05 -39.94 95.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.63 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 55.6 mtt -81.08 -17.92 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 94.6 p -64.34 -60.77 2.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.711 0.291 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 56.83 91.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.6 m120 58.63 -172.71 0.1 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.929 179.875 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.42 ' O6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.26 128.16 34.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -98.19 107.66 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -104.49 143.84 32.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HG3' ' A' ' 87' ' ' GLU . 99.4 mttt -109.55 146.22 35.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HB ' HG12 ' A' ' 66' ' ' ILE . 3.3 t -128.84 116.94 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.326 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.517 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -104.95 106.09 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.803 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.18 103.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.2 p -116.92 151.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.033 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 166.41 82.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.819 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' THR . 24.7 t 60.26 -84.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 111.265 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.43 -48.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.089 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.6 86.08 0.38 Allowed Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.339 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 85.2 t -129.23 -62.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.745 0.307 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 146.21 44.35 0.04 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.376 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 73.0 mttt -56.52 -47.85 78.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.0 0.429 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -55.89 -29.79 60.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.3 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.11 -52.93 63.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.082 -179.081 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.3 mm? -63.22 -25.02 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.471 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 28.6 m -67.56 -43.5 80.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.682 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.05 -47.68 57.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.809 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.629 HE22 ' HA ' ' A' ' 39' ' ' PHE . 47.3 mm-40 -58.79 -34.84 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.891 0.376 . . . . 0.0 111.012 -179.649 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -72.64 -29.23 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.712 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 tpp -82.69 -49.7 9.51 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -115.14 9.42 15.86 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.7 p30 41.72 36.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -146.97 138.41 24.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.719 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.629 ' HA ' HE22 ' A' ' 33' ' ' GLN . 62.5 t80 -84.39 105.86 15.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.65 140.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -89.58 132.16 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -147.67 -31.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.2 t80 58.95 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.86 111.99 65.26 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.92 127.37 17.6 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.402 2.068 . . . . 0.0 112.231 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -117.15 118.27 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.11 -45.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.341 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.69 -10.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.22 127.85 33.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 76.3 p -109.35 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -108.51 160.1 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.577 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -149.33 140.08 22.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 64' ' ' ILE . 40.3 ttpt -158.8 141.01 13.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.835 -179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -96.65 115.63 27.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.79 149.07 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.9 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 67.1 tp -146.25 115.47 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 57.3 30.93 19.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.61 -32.82 5.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.668 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.21 124.02 35.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.6 tt0 -87.15 120.29 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.75 147.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.82 140.22 34.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.9 tt -116.84 139.43 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.4 113.33 13.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.457 HG12 ' HB ' ' A' ' 17' ' ' VAL . 77.3 mt -107.93 145.81 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.06 114.53 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.62 136.95 45.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.682 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.4 ' HB ' HD11 ' A' ' 72' ' ' LEU . 61.1 p -107.68 -20.15 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.383 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.75 -168.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.66 98.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' A' ' 79' ' ' ARG . 84.4 mt -82.43 10.18 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.63 -15.33 51.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -99.82 -167.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 64.44 153.57 0.05 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.74 7.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.256 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.06 -1.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.177 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 61.8 mt -59.57 -17.28 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.096 0.474 . . . . 0.0 110.537 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HA ' HD22 ' A' ' 72' ' ' LEU . 15.4 ttp180 -65.66 -52.84 48.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.196 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -57.39 -31.22 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.316 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 10.8 m120 -52.28 -38.52 58.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.566 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.96 -41.42 95.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.347 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 114' ' ' VAL . 71.2 m-85 -67.95 -33.01 73.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.274 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -79.41 -11.89 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.3 m -98.74 13.85 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.517 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -134.41 -177.04 14.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.898 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 44.4 mt-10 -122.53 -56.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.672 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.94 160.22 22.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.223 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -130.89 139.95 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -127.9 105.1 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.762 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.675 HD11 ' HB ' ' A' ' 104' ' ' THR . 14.4 tp -82.93 124.32 30.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.07 107.79 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.46 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.591 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.3 p90 -114.88 168.55 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.658 179.195 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -104.11 139.41 39.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 26.9 pt -72.36 -39.0 62.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 40.3 p -65.37 -22.93 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.534 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -109.84 95.64 5.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.849 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -62.61 -15.62 52.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.81 -26.85 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.478 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 104' ' ' THR . 80.1 p -73.33 -54.78 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.903 -178.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -51.92 -34.61 42.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.754 -179.339 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.9 p -73.13 -54.21 9.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.94 93.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.201 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 91' ' ' LEU . 28.9 p -52.57 -31.44 36.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.183 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.65 -47.15 79.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.764 -179.248 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.89 -39.82 72.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 111.491 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 21.6 m-85 -54.62 -23.87 18.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.404 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -47.44 -44.18 24.65 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.114 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 43.5 mt-10 -70.4 -46.71 63.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.597 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.445 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 53.3 mt-30 -56.31 -36.77 69.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.658 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.8 mt -59.26 -46.93 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.76 -27.55 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 60.2 mtp180 -55.32 -50.92 68.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.168 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 83' ' ' PHE . 9.3 m -69.84 -19.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.647 -179.491 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.4 mmtt -117.83 39.41 3.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.58 61.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.391 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -100.79 -1.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.204 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 23.9 mm-40 -106.29 151.91 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.73 -62.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -84.67 121.08 27.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.0 mm -114.98 105.35 53.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.76 128.29 28.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.406 2.071 . . . . 0.0 111.982 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 56.3 tp -148.98 159.06 44.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 90' ' ' LEU . 55.9 tp -166.34 123.63 1.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.86 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.653 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -99.01 141.78 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.439 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 168' ' ' VAL . 21.4 t -144.84 151.89 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.757 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -124.2 110.87 1.5 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.102 179.608 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -82.45 -167.68 1.69 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' HG2' ' OG1' ' A' ' 96' ' ' THR . 10.4 tppt? 58.77 16.54 4.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 54.5 m -64.97 -8.16 14.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.11 -8.37 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.287 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.9 mt -117.01 80.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.54 ' HG2' HH22 ' A' ' 136' ' ' ARG . 42.3 mt-10 -71.79 -22.92 61.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.58 -9.08 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' A' ' 132' ' ' LEU . 45.9 mtp180 -115.78 1.15 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.31 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.54 HH22 ' HG2' ' A' ' 133' ' ' GLU . 41.7 ttm180 -64.92 113.19 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -87.61 -29.66 21.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.0 t -100.36 105.48 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.48 124.97 17.43 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.905 1.737 . . . . 0.0 111.392 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.52 -43.86 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.198 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.6 mt-10 -57.4 -48.25 79.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.29 -36.28 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.0 -28.83 67.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 99.3 mtt180 -64.19 -48.99 73.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -62.92 -48.72 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.855 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.8 73.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -53.36 -31.62 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -50.89 -49.03 60.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -71.9 -16.82 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.05 14.69 28.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.055 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.25 -176.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.187 0.518 . . . . 0.0 111.393 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.64 132.78 51.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.662 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.653 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.4 t80 -95.23 139.58 31.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.028 0.442 . . . . 0.0 111.358 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.32 152.97 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -92.63 141.07 28.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.467 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 54.8 p -146.12 158.29 43.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.997 0.427 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.3 m -134.42 108.97 8.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.4 -18.41 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.503 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -79.11 -25.54 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -101.37 -21.02 14.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.289 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.596 HH11 ' H ' ' A' ' 39' ' ' PHE . 8.6 mtm180 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.36 -56.17 4.66 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -111.04 19.46 18.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 33' ' ' GLN . 58.1 t -67.3 -49.55 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 0.0 110.954 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.77 -16.08 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.747 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -64.63 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 126' ' ' VAL . 4.0 m -81.3 -26.64 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.585 -179.334 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -73.37 -44.66 58.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -71.82 -32.59 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -67.09 -49.36 65.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.12 -32.5 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 40.6 ttm -59.31 -44.36 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -63.68 -34.14 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.12 -40.01 94.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.305 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.2 mt -66.68 -34.67 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.515 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 181' ' ' MET . 70.9 mtp180 -75.55 -40.45 56.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.711 0.291 . . . . 0.0 111.624 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -87.34 -58.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -67.12 -54.36 22.11 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 85.3 tttt -61.62 -50.79 71.16 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -66.71 -13.8 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t -66.74 -60.2 2.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 59.34 95.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.344 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -165.48 151.5 9.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.036 179.8 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.406 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.85 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.95 106.85 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.008 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -105.25 128.41 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 59.2 mttp -103.65 134.22 47.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 0.0 111.54 -179.392 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -118.43 131.14 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.865 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.53 112.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.511 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 3.6 mmt -61.28 98.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.005 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.6 p -104.57 154.99 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.539 179.439 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 178.98 -161.12 27.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.707 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 55.1 p -62.07 -49.1 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.689 -179.832 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.86 -10.61 0.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.16 85.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 93' ' ' PHE . 29.0 m -135.33 -8.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 179.597 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.1 43.66 2.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.815 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 49.8 mtmt -59.35 -43.54 92.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.531 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.2 p -58.22 -29.1 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.97 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.67 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.766 -179.235 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.697 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -59.93 -25.25 65.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 HG21 ' A' ' 66' ' ' ILE . 22.5 m -74.15 -40.76 62.37 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.689 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.811 -179.328 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.563 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -74.39 -38.43 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -72.94 -37.14 67.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.737 0.303 . . . . 0.0 111.49 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 98.2 mmm -82.59 -50.13 9.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.401 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.25 -22.11 12.72 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 61.01 57.23 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.067 0.461 . . . . 0.0 110.246 -179.127 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -157.56 133.09 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.631 -179.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -94.34 106.08 18.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -152.73 150.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.17 106.83 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -163.25 138.91 6.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.54 153.23 50.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.0 125.9 8.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.58 149.18 68.81 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.396 2.064 . . . . 0.0 112.213 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 m -127.26 126.12 42.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.02 -51.96 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.0 -0.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -85.7 130.64 34.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.7 t -127.5 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 39.7 m-85 -107.9 146.49 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.763 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -144.97 138.66 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 111.064 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -151.97 144.83 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 34.0 mtmm -92.66 125.59 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.5 m -143.26 141.27 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.0 p -73.1 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -142.93 105.75 4.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 56.82 30.91 18.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.72 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.14 3.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.66 113.76 26.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.6 tt0 -79.71 115.24 19.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.911 179.765 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.04 141.25 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.606 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 90.2 mt-30 -81.16 138.1 35.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -111.5 130.06 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.583 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.6 t70 -110.93 113.91 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.571 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 31' ' ' THR . 73.0 mt -104.19 122.74 57.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 111.438 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.74 106.07 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.267 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.3 122.05 14.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.5 p -123.92 155.09 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.65 -178.29 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.942 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.42 116.96 9.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.036 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 79' ' ' ARG . 5.2 mp -84.45 6.35 23.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.631 0.253 . . . . 0.0 110.865 -179.579 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 61.07 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.531 ' HA ' HH21 ' A' ' 79' ' ' ARG . 19.4 t70 -147.24 -72.15 0.22 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.729 0.3 . . . . 0.0 111.207 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 59.81 176.57 0.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.49 -54.08 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.555 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.06 25.93 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.156 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.31 -17.92 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.531 HH21 ' HA ' ' A' ' 74' ' ' ASP . 91.2 mtt180 -57.04 -53.79 54.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -55.62 -34.46 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -62.78 -34.72 77.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.242 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -78.46 -34.13 47.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -74.93 -19.6 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -83.01 -24.33 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.124 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 t -73.22 -3.49 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.67 165.28 22.25 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.394 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -103.26 -44.51 5.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.6 166.5 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.449 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.28 141.31 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.45 108.74 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.58 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 7.3 tp -82.65 132.13 35.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.841 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.31 133.83 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HA ' HG11 ' A' ' 25' ' ' VAL . 13.1 p90 -145.29 156.16 43.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.641 178.788 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 t -95.97 145.91 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.555 HG12 ' HB3' ' A' ' 129' ' ' LYS . 10.6 pt -77.17 -36.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -67.88 -13.44 62.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.944 0.402 . . . . 0.0 110.612 179.479 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -121.34 93.5 4.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.56 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -61.7 -16.42 48.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.391 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.96 -26.97 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 22.4 m -69.95 -51.89 28.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.192 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -53.45 -40.09 64.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.225 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -72.69 -53.71 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.035 -179.423 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -35.83 74.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.9 p -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.87 68.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 48.0 mt-10 -68.66 -45.11 72.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.12 -23.85 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.88 179.55 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -48.07 -56.2 8.34 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.453 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.39 -35.6 73.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.444 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.3 mt-30 -57.08 -30.02 63.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.061 0.458 . . . . 0.0 110.644 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.51 -35.85 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.659 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.48 -25.37 65.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -50.32 -51.3 46.57 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -62.72 -35.58 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.59 ' HG2' HG23 ' A' ' 114' ' ' VAL . 66.9 mmtt -109.93 59.7 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -46.12 33.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.688 -179.097 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.64 -34.26 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.032 0.444 . . . . 0.0 110.018 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 54.05 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.582 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -119.85 -54.83 2.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.06 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 179' ' ' LYS . 73.4 mmtt -151.58 86.84 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.18 112.2 55.22 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.216 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.89 127.82 15.03 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.458 2.105 . . . . 0.0 111.821 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -140.27 148.13 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.525 ' H ' HD23 ' A' ' 123' ' ' LEU . 26.3 tp -155.8 112.13 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.788 178.726 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.645 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -90.19 137.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -178.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 168' ' ' VAL . 16.1 t -144.55 144.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.06 124.31 5.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.971 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -91.64 -166.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.701 0.286 . . . . 0.0 110.515 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.555 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.2 tppt? 65.62 8.72 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -57.71 -12.66 3.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.53 -9.14 16.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.397 . . . . 0.0 110.594 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.1 mt -120.9 94.79 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.85 -48.01 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.0 -18.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.784 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.595 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.1 mtt180 -104.32 20.45 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.6 ttm180 -94.36 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.281 179.566 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -81.06 -38.19 27.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.69 111.5 51.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.65 133.38 45.03 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.122 1.881 . . . . 0.0 111.33 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -52.81 -44.69 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.5 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.01 -49.4 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 -179.55 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.19 -34.31 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.408 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.82 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.382 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 93.3 mtt180 -73.8 -41.24 62.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.336 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -61.35 -42.2 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.453 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.512 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.3 tmmm? -74.92 -48.58 23.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -56.35 -37.9 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.433 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.45 -31.27 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.1 -47.26 61.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.512 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 37.5 m0 -64.02 -19.2 65.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.1 13.23 37.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.998 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 123' ' ' LEU . 12.7 m -114.83 -178.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.12 0.486 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -121.18 129.37 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.063 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.645 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.7 t80 -95.46 139.87 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.587 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.6 152.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.422 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.99 148.13 23.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.336 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.2 p -151.72 166.49 31.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 0.0 111.79 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -139.14 112.81 8.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.184 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.05 -4.56 4.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.426 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -96.9 -55.51 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.04 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 59.2 p -76.87 -9.18 58.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? 35.17 39.06 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.964 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.45 -55.52 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.05 15.93 25.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.571 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -66.66 -43.37 90.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -73.07 -15.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.203 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.79 -34.11 71.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.512 -179.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -71.84 -30.53 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.777 0.323 . . . . 0.0 111.255 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.15 -44.73 45.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.236 -179.776 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -72.32 -36.75 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.56 -47.29 82.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.88 -32.48 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.53 -46.28 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.2 -34.64 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 23.8 mm-40 -64.3 -30.85 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 99.0 mt -72.64 -51.41 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.292 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.7 ptm180 -67.11 -23.26 65.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.662 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.7 m -88.07 -59.58 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.57 ' HG3' ' HD2' ' A' ' 120' ' ' LYS . 0.5 OUTLIER -71.03 -55.85 7.4 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.494 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.05 -59.94 4.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -55.14 -19.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.155 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.1 t -78.86 -47.35 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 62.88 166.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -71.53 -23.09 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 185' ' ' LYS . 4.1 ttpm? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.7 mp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.03 176.8 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.751 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.61 106.13 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -107.59 146.06 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 68.1 mttm -124.76 117.03 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -101.82 116.23 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.629 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' HA3' ' A' ' 86' ' ' GLY . 36.6 mm -85.7 128.58 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.624 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -84.11 93.17 8.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.8 p -114.05 156.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.455 179.593 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.564 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 158.87 86.92 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.155 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.577 ' N ' HG22 ' A' ' 104' ' ' THR . 27.6 t 59.24 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.956 0.407 . . . . 0.0 111.045 179.517 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 174.33 -87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.015 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.13 67.88 3.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.982 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 93' ' ' PHE . 96.5 t -114.21 -46.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.432 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.13 33.83 0.4 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.331 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 46.4 mtmt -55.4 -31.51 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.4 p -68.78 -30.16 68.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.761 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.3 -52.31 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.876 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -57.12 -25.14 58.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.272 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.7 m -74.19 -50.48 19.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.88 -38.55 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.275 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.963 HE22 ' HA ' ' A' ' 39' ' ' PHE . 62.7 mm-40 -64.81 -40.46 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.378 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.87 -30.78 64.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 31' ' ' THR . 96.6 mmm -80.3 -49.27 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.02 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.64 -7.87 14.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.192 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 27.4 t70 56.03 45.17 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 109.908 -179.405 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' HH11 ' A' ' 162' ' ' ARG . 9.5 tp10 -154.37 131.59 11.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.03 -179.348 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.963 ' HA ' HE22 ' A' ' 33' ' ' GLN . 71.0 t80 -85.86 105.86 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.8 p -118.05 142.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.7 -36.88 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.1 t70 -64.12 137.46 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.83 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -121.39 162.3 20.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.73 100.53 19.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.96 139.56 47.56 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.411 2.074 . . . . 0.0 112.267 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' H ' ' A' ' 68' ' ' ASP . 86.3 m -86.4 145.15 26.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -135.39 -41.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.45 -3.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.71 137.47 33.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 m -109.31 156.13 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -110.58 155.7 21.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -148.89 150.89 33.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -166.06 154.17 10.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -115.77 127.79 55.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.22 159.8 28.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.41 141.62 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' SD ' ' A' ' 173' ' ' MET . 56.0 tp -140.55 99.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.681 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.91 30.87 16.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.35 -36.37 4.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -79.57 128.36 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.022 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -100.61 114.33 27.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.993 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.38 157.37 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.005 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.12 141.71 28.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 tt -117.69 144.04 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.729 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 9.2 t70 -135.99 121.8 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.027 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -106.81 126.31 62.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.546 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.0 tm? -128.79 135.46 49.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.546 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.4 t70 65.81 121.69 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.308 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 28' ' ' SER . 75.1 p -135.22 14.05 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.31 164.95 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.923 0.392 . . . . 0.0 111.394 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.18 120.64 23.66 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.565 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 68.0 mt -86.78 24.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -89.86 -13.96 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -80.96 5.62 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.274 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.441 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 71.7 m-85 -119.74 135.2 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.25 -46.61 55.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.79 7.0 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.377 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.441 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 43.8 mt -84.75 -19.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 0.0 110.89 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 13.7 ptp180 -59.77 -36.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.174 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.39 -33.07 71.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.711 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -52.53 -34.47 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.35 -46.68 39.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.363 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 68.1 m-85 -62.87 -24.35 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.73 -39.24 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.0 p -73.15 -1.17 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.032 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.55 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -112.09 175.12 16.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.681 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -119.78 -50.5 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.01 169.95 23.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.976 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -139.84 138.64 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.057 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 168' ' ' VAL . 4.2 tp -130.2 103.93 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.649 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.2 tm? -85.79 125.85 33.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.44 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.49 135.34 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.799 0.333 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.536 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -138.09 150.8 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.722 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 m -89.06 134.66 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.491 HD13 ' HE ' ' A' ' 136' ' ' ARG . 42.4 pt -67.7 -31.85 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -25.43 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.68 99.56 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.034 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -62.79 -16.46 58.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.69 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.59 -27.76 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 104' ' ' THR . 89.6 p -70.57 -53.72 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.424 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.74 -39.32 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.9 p -73.05 -53.84 10.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.432 -179.254 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.36 80.59 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.332 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.649 ' HB ' HD21 ' A' ' 91' ' ' LEU . 19.6 p -55.18 -31.37 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.171 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.239 -179.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.0 -40.64 98.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.751 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.99 -25.46 66.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -50.7 -44.33 57.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.929 0.395 . . . . 0.0 110.672 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 40.7 mt-10 -70.84 -42.04 70.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.068 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -56.28 -36.77 68.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.131 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.4 mt -59.0 -47.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.0 -29.97 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 56.2 mtp180 -60.95 -51.03 70.97 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 111.673 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 5.3 m -66.98 -13.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.557 -179.661 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -124.18 28.69 6.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.759 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.58 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.41 -25.75 38.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.731 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.34 -178.26 7.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -126.0 -59.98 1.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 1.4 mptm? -81.98 112.15 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.63 104.32 54.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.75 131.14 24.99 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.319 2.013 . . . . 0.0 112.157 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.0 tp -143.17 158.8 43.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -166.42 120.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.066 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -100.98 143.68 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.978 -178.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.503 HG21 ' HB ' ' A' ' 168' ' ' VAL . 87.7 t -143.47 146.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.97 130.08 9.85 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.245 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -94.57 -174.32 3.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.689 0.28 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.8 mmtp 57.24 16.98 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.395 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 68.2 m -59.06 -14.69 10.56 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.312 -179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 158' ' ' SER . 5.9 p-10 -73.44 3.92 5.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.974 0.416 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.3 mt -128.08 54.56 1.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.748 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.0 -11.26 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.57 -21.1 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.275 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -128.25 18.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.694 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.491 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.5 ttm180 -62.02 108.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -74.73 -33.54 62.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.684 -179.295 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 63.0 t -96.89 106.95 34.24 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.383 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.76 132.63 52.91 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.293 1.995 . . . . 0.0 111.791 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -57.38 -39.82 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -64.29 -40.32 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.19 -28.2 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.16 -52.87 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.786 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 74.5 mtt180 -54.6 -45.68 73.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.33 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -56.93 -31.55 65.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.99 0.424 . . . . 0.0 110.498 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -75.03 -48.37 24.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 179.614 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -54.42 -43.35 71.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.475 -179.341 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.28 -32.62 56.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.266 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.4 -47.94 62.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -72.63 -21.4 61.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.73 26.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.963 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.442 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.3 m -112.7 173.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.117 0.484 . . . . 0.0 111.198 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -116.46 130.31 56.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.665 178.884 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.9 t80 -94.84 135.55 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.025 0.441 . . . . 0.0 111.177 -179.39 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.27 146.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -89.66 133.66 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.195 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 164' ' ' ASN . 33.3 p -143.22 148.32 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.002 0.43 . . . . 0.0 111.45 -179.303 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 131' ' ' ASP . 29.7 p -123.5 107.82 11.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.775 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.58 -13.74 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -70.19 -40.1 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.344 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 69.8 p -99.85 -13.01 19.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.579 HH11 ' HA ' ' A' ' 38' ' ' GLU . 5.8 mtm180 50.56 34.26 9.29 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.52 -55.8 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.463 ' HB3' HG22 ' A' ' 157' ' ' THR . 4.5 m-20 -110.95 14.02 22.06 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.079 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.6 p -66.01 -41.65 90.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.383 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.34 -19.93 60.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.614 178.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.36 -36.66 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.214 -178.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 165' ' ' VAL . 13.0 p -71.2 -34.12 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.553 -179.088 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -70.72 -41.87 71.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.53 -36.76 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.462 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.51 -53.89 12.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.174 -179.523 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.9 tp -58.77 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.23 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.439 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.8 ttm -57.32 -47.87 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.308 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.22 -37.32 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.4 -39.3 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.713 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 57.4 mt -62.7 -35.42 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 43.6 mtm180 -75.84 -47.54 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 182' ' ' SER . 68.6 m -87.44 -59.2 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.9 -54.06 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -60.28 -56.3 23.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.734 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.4 mmt -62.16 -18.64 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t -59.84 -58.88 6.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.832 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 16.1 mm-40 59.78 173.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.375 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -73.62 136.05 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.008 -179.886 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -95.25 160.39 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 tp -124.62 107.68 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -108.55 145.84 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.9 mttt -118.89 137.17 53.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.35 . . . . 0.0 111.335 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.28 132.92 67.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.107 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -113.54 111.57 36.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 3.5 mmt -63.8 97.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 90' ' ' LEU . 9.9 p -101.28 157.17 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 175.5 -164.41 34.74 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.387 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 104' ' ' THR . 14.8 t -59.58 -32.57 70.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.788 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.87 -17.41 1.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.808 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' HA2' HNB3 ' A' ' 500' ' ' GNP . . . -148.47 -109.95 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 179.711 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.2 t 70.04 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.459 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 109.3 37.67 1.92 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.646 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 8.9 ptpp? -57.32 -30.2 64.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.3 p -69.45 -29.46 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.974 179.656 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.16 -52.57 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.737 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.1 mm? -60.53 -25.12 65.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.5 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 HG21 ' A' ' 66' ' ' ILE . 44.8 m -70.49 -39.79 73.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.362 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.56 -44.68 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.608 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 9.8 mm100 -58.26 -38.12 76.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 111.281 -179.346 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -73.13 -25.89 61.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.602 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.3 tpp -82.45 -50.12 9.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.538 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -123.09 -7.5 8.31 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.2 t70 59.48 59.86 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.086 0.47 . . . . 0.0 110.356 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HH11 ' A' ' 162' ' ' ARG . 34.6 tt0 -162.5 127.38 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.978 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -90.91 111.83 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.47 149.73 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.98 96.14 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -161.53 126.4 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -137.9 148.94 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -141.7 130.52 12.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.01 147.88 71.96 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.7 m -130.08 127.75 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -119.14 -34.01 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.1 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.407 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.98 134.95 35.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -127.67 174.34 9.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -113.7 155.79 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -140.45 152.42 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -164.51 170.25 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.659 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -119.15 133.3 55.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.308 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.56 141.33 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.939 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.3 p -92.34 137.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.005 0.431 . . . . 0.0 111.44 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.33 103.08 8.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 43.54 31.17 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.802 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.03 -48.11 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.054 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -87.59 117.01 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 111.502 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.1 tt0 -86.13 122.98 30.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 13' ' ' ALA . 33.6 m -130.14 139.51 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -83.96 161.63 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.219 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.512 HD12 ' HE2' ' A' ' 173' ' ' MET . 17.8 tt -139.22 144.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.567 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.1 t70 -120.52 118.91 31.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 31' ' ' THR . 47.9 mt -103.6 124.05 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.094 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 67' ' ' LEU . 2.6 tm? -99.86 118.9 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.2 110.0 14.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.3 p -101.13 178.76 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.64 -163.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.12 92.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.166 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 88.8 mt -75.79 6.35 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.247 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.64 -10.91 59.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -83.66 -21.69 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.503 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 44.5 m-85 -99.84 130.03 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.8 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.54 -5.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.394 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 29.2 mt -73.13 -20.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 40.0 ptt180 -64.15 -34.19 77.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.282 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.0 -30.83 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.981 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.2 -38.15 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.528 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.53 -46.41 76.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -179.36 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.595 ' HB2' HG11 ' A' ' 114' ' ' VAL . 37.9 m-85 -61.98 -38.27 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -74.31 -11.02 60.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -94.08 9.46 37.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 -175.77 14.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.627 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -122.26 -32.92 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.7 169.68 13.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.46 141.43 47.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' C ' HG12 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -130.69 105.78 8.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.632 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 104' ' ' THR . 8.4 tp -81.76 128.42 33.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.335 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 126' ' ' VAL . 35.2 t -133.86 128.34 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.031 -179.361 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.0 p90 -144.32 153.41 41.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.593 178.666 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 t -94.6 150.0 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.387 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 24.4 pt -74.68 -37.46 43.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 95' ' ' ILE . 61.9 p -66.84 -26.46 66.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -104.53 89.52 3.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.74 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.94 -16.64 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.46 -26.41 60.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' THR . 19.9 m -70.1 -53.52 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.565 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -51.64 -38.97 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 0.0 111.736 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.6 p -72.73 -53.85 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.289 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.07 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.551 -179.278 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.5 p -55.18 -31.5 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.92 78.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -36.27 79.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.703 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.1 m-85 -70.05 -25.72 63.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -48.98 -54.56 15.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.86 -34.55 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -65.19 -24.54 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG22 HG21 ' A' ' 121' ' ' ILE . 98.2 mt -66.06 -47.28 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.242 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.04 -27.36 66.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.9 mmp_? -63.07 -49.59 73.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.3 m -69.28 -12.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.454 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 114' ' ' VAL . 72.3 mmtt -123.61 43.27 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.19 -15.26 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.276 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.96 -25.2 16.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.03 163.41 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -115.55 -17.0 11.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -143.19 105.34 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.46 HG21 HG22 ' A' ' 111' ' ' ILE . 4.1 mp -99.26 113.65 64.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.463 ' HG3' HG12 ' A' ' 176' ' ' ILE . 46.2 Cg_endo -67.74 123.44 10.74 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.29 1.993 . . . . 0.0 112.155 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -128.01 157.0 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 tp -159.46 124.36 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 179.553 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.595 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.5 p -104.59 143.94 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.956 0.408 . . . . 0.0 111.756 -178.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 92' ' ' VAL . 6.5 p -143.52 154.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.083 179.494 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -125.05 105.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.84 179.443 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.59 -171.14 3.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.693 0.282 . . . . 0.0 110.402 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 62.69 15.46 8.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.9 m -63.82 -8.49 10.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.61 -9.75 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' HD2' ' A' ' 135' ' ' ARG . 24.1 mt -116.89 87.67 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.968 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.15 -28.16 62.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.93 -6.47 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.334 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -117.92 14.92 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.25 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.0 ttm180 -82.66 110.47 17.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.51 -34.05 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.97 108.27 57.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.75 135.9 69.32 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.141 1.894 . . . . 0.0 111.318 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -50.06 -42.71 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.396 -179.456 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.35 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.357 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.67 -36.42 71.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.0 mtt180 -66.62 -44.11 82.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.111 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -58.8 -39.45 81.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.536 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.418 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -76.57 -42.24 43.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.016 -179.5 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -59.95 -48.64 80.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.999 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -53.9 -32.3 52.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.888 -179.176 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -52.23 -38.18 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 111.179 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.418 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 20.3 m0 -78.74 -18.44 54.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.99 21.44 11.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.123 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.47 177.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.028 0.442 . . . . 0.0 111.456 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -120.92 130.09 53.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.788 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.595 ' HD1' HG22 ' A' ' 125' ' ' VAL . 25.4 t80 -95.25 141.19 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.326 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.35 154.05 29.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.222 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -89.93 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.2 p -151.23 170.03 20.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.487 -179.612 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -148.64 113.95 5.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.671 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.33 -3.11 12.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -91.95 -37.77 12.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 80.7 p -94.87 -19.04 20.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.461 HH11 ' HA ' ' A' ' 38' ' ' GLU . 7.6 mtm180 50.56 32.13 6.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.349 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.97 -56.26 4.63 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.81 21.75 15.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 168' ' ' VAL . 2.9 p -66.52 -43.14 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.76 -14.71 61.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -58.94 -39.21 80.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.673 -179.237 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 35.6 m -75.63 -26.83 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.207 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -73.95 -47.38 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.217 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.59 -44.91 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.308 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.78 -52.37 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.014 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.93 -34.67 73.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.512 ' HE2' HD12 ' A' ' 64' ' ' ILE . 50.4 ttm -58.61 -47.24 84.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.5 -34.03 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.21 -36.28 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.463 HG12 ' HG3' ' A' ' 122' ' ' PRO . 67.6 mt -69.71 -52.6 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 181' ' ' MET . 52.2 mtp180 -55.86 -38.03 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.015 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 81.5 m -87.09 -58.57 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.523 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -69.7 -53.5 18.23 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.2 tttt -63.36 -35.17 79.5 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.205 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.447 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -81.98 -12.72 58.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.228 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.0 p -86.59 -60.87 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.702 0.287 . . . . 0.0 111.014 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 52.05 86.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -147.14 120.42 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.091 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.631 HNB3 ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.55 129.88 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.4 108.56 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.7 114.58 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -93.89 141.17 28.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.13 139.22 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 19.2 mm -113.19 130.8 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -179.73 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.517 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -82.49 96.23 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.681 179.479 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.6 p -101.13 157.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 179.43 -167.01 36.75 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.724 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 70.8 p -61.08 -46.42 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.07 18.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.479 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.23 65.5 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.539 HG13 ' OG ' ' A' ' 94' ' ' SER . 13.6 t -126.14 -40.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.699 0.285 . . . . 0.0 111.297 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.32 38.16 0.23 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 7.7 mtmp? -59.8 -36.03 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -71.82 -30.09 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.203 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.33 -52.89 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.895 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.319 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.552 HG23 HG21 ' A' ' 66' ' ' ILE . 97.2 m -68.53 -46.44 69.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.277 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.04 -32.44 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.664 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.7 mm100 -61.82 -34.96 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -72.99 -27.87 62.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.553 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 tpp -82.6 -49.48 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -108.23 -10.45 15.38 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -177.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.37 28.2 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -143.28 152.09 41.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.999 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -94.64 120.91 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 42' ' ' ASP . 20.1 t -126.89 148.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.011 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.6 9.1 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' H ' HG12 ' A' ' 40' ' ' VAL . 7.9 m-20 -101.66 148.94 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -141.71 165.59 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.79 128.02 15.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.87 156.97 21.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.334 2.023 . . . . 0.0 112.154 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.479 HG21 ' H ' ' A' ' 69' ' ' THR . 91.7 m -131.47 114.27 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -117.01 -40.75 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.26 0.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 132.96 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -122.2 172.8 8.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -115.5 154.56 29.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -135.73 137.79 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.41 . . . . 0.0 110.934 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -147.74 154.37 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 36.5 mtmm -118.68 120.84 38.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.73 147.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.003 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -81.66 143.82 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 61.2 tp -135.34 104.56 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.22 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 53.89 31.08 12.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.17 -42.13 2.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.602 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -91.25 118.15 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.8 tt0 -85.63 131.43 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.66 148.45 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.032 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 92.7 mt-30 -81.26 138.64 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -118.89 137.94 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.366 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.2 123.37 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.678 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.552 HG21 HG23 ' A' ' 31' ' ' THR . 58.3 mt -110.2 141.99 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.5 OUTLIER -129.28 114.28 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.126 179.705 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -54.41 -53.38 54.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.994 -179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.479 ' H ' HG21 ' A' ' 46' ' ' THR . 23.1 m 75.03 -38.6 0.38 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.916 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.89 -174.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.62 119.81 15.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.059 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.608 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 4.5 mp -90.12 16.74 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.11 5.74 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -107.57 -14.57 14.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.483 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 36.2 m-85 -100.12 138.93 36.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.814 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.13 -53.24 8.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.443 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.37 -8.01 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.483 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 33.9 mt -64.16 -16.69 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.608 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 66.3 mtm180 -53.78 -48.39 69.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.91 -31.76 60.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.92 -44.97 94.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.78 -49.95 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 -179.753 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -62.91 -23.25 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -84.24 -28.77 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -55.51 -38.47 69.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -110.58 159.0 14.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.657 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -96.75 -14.48 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.22 158.05 15.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.683 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -136.14 134.31 38.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 124' ' ' LEU . 18.7 mt -129.12 102.18 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -84.11 123.17 29.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.567 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 30' ' ' LEU . 42.2 t -129.03 137.54 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.532 ' HA ' HG21 ' A' ' 25' ' ' VAL . 8.4 p90 -146.65 152.69 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.391 178.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.539 ' OG ' HG13 ' A' ' 25' ' ' VAL . 73.7 m -87.55 135.19 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.303 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.12 -36.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.706 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.0 t -71.18 -22.94 61.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 96' ' ' THR . 46.6 mt-10 -108.3 93.05 4.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.36 -16.23 53.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.071 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.13 -26.89 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.362 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -70.71 -51.98 23.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.337 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.53 -39.21 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.4 -53.64 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.891 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.09 -36.13 76.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.607 ' HB ' HD11 ' A' ' 91' ' ' LEU . 11.8 p -60.62 -31.71 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.15 0.5 . . . . 0.0 110.462 179.385 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.2 79.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.08 -42.9 99.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.61 -27.63 69.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HA ' HD12 ' A' ' 111' ' ' ILE . 4.3 tmt_? -55.24 -43.19 74.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.66 -30.12 66.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.023 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.81 -25.95 62.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 108' ' ' ARG . 72.4 mt -58.2 -38.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.326 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.48 -26.15 65.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -51.7 -51.22 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -62.91 -38.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.029 0.443 . . . . 0.0 110.465 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 114' ' ' VAL . 25.4 mmtp -99.76 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.42 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.91 -37.6 6.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.504 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.13 -44.35 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.123 0.487 . . . . 0.0 109.794 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 121' ' ' ILE . 30.6 tt0 60.04 111.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.068 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.504 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 12.0 m-20 -149.58 -68.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.691 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.621 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 2.9 mptp? -136.92 82.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.491 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 118' ' ' GLU . 4.7 mp -86.08 114.4 57.02 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.073 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.49 119.5 6.54 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.355 2.037 . . . . 0.0 111.811 179.347 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.2 tp -143.23 161.38 38.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' A' ' 90' ' ' LEU . 59.9 tp -168.85 127.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.622 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -98.7 142.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.086 0.47 . . . . 0.0 111.603 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 168' ' ' VAL . 19.2 t -143.87 139.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.702 179.512 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.74 129.27 9.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.286 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.9 -166.65 1.41 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 132' ' ' LEU . 74.5 mmtt 59.72 21.51 10.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -57.62 -30.69 65.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.83 -21.59 43.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.04 0.448 . . . . 0.0 110.403 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 135' ' ' ARG . 43.1 mt -93.84 66.38 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.59 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.8 -13.97 62.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.83 -12.63 30.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.535 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.1 mtt180 -107.48 -6.68 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm180 -60.91 108.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.689 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.57 -17.73 15.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.82 100.64 13.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 13.4 Cg_endo -57.66 139.29 89.76 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.198 1.932 . . . . 0.0 111.696 179.553 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 89.0 t -53.93 -47.89 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.617 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.48 -42.02 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.703 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.402 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 39.1 tt0 -74.96 -31.21 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.695 0.283 . . . . 0.0 111.325 -179.586 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.35 -31.06 60.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.452 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 42.5 mtt180 -77.57 -33.68 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -66.23 -53.6 35.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.262 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.61 99.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.03 -36.33 77.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.32 -32.74 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.0 -41.52 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -69.26 -29.2 67.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.8 32.25 2.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.8 177.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.654 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -120.82 137.8 54.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.95 179.197 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.622 ' HD1' HG22 ' A' ' 125' ' ' VAL . 42.4 t80 -102.52 138.68 39.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.921 0.391 . . . . 0.0 111.363 -179.494 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.67 154.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.56 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.1 135.73 33.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.235 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -149.48 162.37 40.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 111.542 -179.414 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -133.08 110.44 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.497 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.4 -3.55 6.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.66 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.27 -43.14 12.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.8 p -98.84 0.43 44.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.332 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.0 ppt_? 33.5 47.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.195 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.2 -55.81 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.979 -179.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.7 m-20 -112.04 6.89 19.55 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.439 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 168' ' ' VAL . 14.7 p -57.63 -41.31 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.86 -14.91 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -31.28 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.881 -179.05 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 126' ' ' VAL . 3.9 m -71.13 -28.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.481 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -74.34 -43.39 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.79 -34.3 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.87 -45.58 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 175' ' ' GLU . 44.9 tp -72.77 -42.39 64.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 23.5 ttp -54.22 -36.44 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.73 -36.17 75.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.557 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -78.27 -25.15 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.37 -179.412 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.7 mt -65.1 -50.33 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.27 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 9.5 ptm180 -73.98 -24.05 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.6 m -88.35 -60.19 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -71.11 -54.42 11.17 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.9 tmtm? -61.54 -51.88 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.131 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.492 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -64.03 -13.92 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.498 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t -71.32 -60.37 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.284 . . . . 0.0 111.092 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.621 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.3 mt-10 60.22 -178.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.006 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -96.39 -30.56 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.931 -179.95 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.49 174.3 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -134.86 123.21 23.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB3' HD13 ' A' ' 176' ' ' ILE . 34.5 m-70 -116.69 112.53 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -83.74 145.76 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 66' ' ' ILE . 1.3 t -127.31 120.19 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.36 -179.48 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.8 mm -99.07 108.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.963 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.586 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.1 tpt -70.98 92.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.0 p -104.32 159.49 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.323 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.92 -164.12 31.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.549 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.518 ' HB3' HG23 ' A' ' 25' ' ' VAL . 17.8 t -59.68 -31.29 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.072 -179.779 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.88 22.75 5.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.348 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.39 39.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.23 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 22' ' ' SER . 75.4 t -100.73 -45.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.333 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.63 38.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.181 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.9 mttt -53.45 -36.27 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -67.71 -30.41 69.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -52.07 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.019 -178.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.56 -24.55 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.398 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.1 m -72.43 -48.12 43.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.773 -179.471 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.3 -33.5 69.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.81 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.2 mm100 -65.35 -32.69 74.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.983 0.42 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -73.49 -40.8 63.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.933 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.446 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 42.5 ttm -82.31 -49.75 9.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -99.86 -26.51 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.132 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.2 m-20 58.88 40.57 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.094 0.473 . . . . 0.0 110.021 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -144.79 128.3 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.957 -179.388 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -83.73 105.9 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.63 139.41 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -74.11 98.61 3.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.54 178.03 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -164.44 151.03 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.766 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.49 99.61 4.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.22 149.82 11.74 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.654 2.236 . . . . 0.0 112.686 -179.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 68' ' ' ASP . 84.9 m -92.34 123.21 35.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.62 -69.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.034 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.74 6.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.295 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.56 136.44 32.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -114.57 157.47 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.763 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -101.47 152.68 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -144.06 132.84 22.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -149.29 144.57 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -95.8 116.3 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.59 153.88 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.5 p -103.54 145.04 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.267 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 174' ' ' ARG . 53.4 tp -150.2 123.62 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.2 30.89 17.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.587 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -29.3 5.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.445 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.16 115.75 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -74.23 117.09 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.46 143.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.39 159.11 24.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.185 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -130.58 137.86 55.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 13.7 t70 -137.53 113.56 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.159 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' A' ' 17' ' ' VAL . 82.7 mt -101.04 129.61 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -133.84 137.88 45.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 16.1 t70 68.42 129.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.278 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 9.8 t -154.38 -8.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 152.62 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 117.83 4.55 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.431 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 79' ' ' ARG . 95.3 mt -75.6 -72.69 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.601 0.239 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 58.81 16.42 4.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 111.041 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -137.76 -168.13 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 61.99 176.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.2 -53.71 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.02 32.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.51 -24.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.521 ' HB3' HD12 ' A' ' 72' ' ' LEU . 27.9 ptt180 -52.84 -36.09 58.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.42 -39.38 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.776 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -53.28 -35.32 59.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.206 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -67.52 -20.77 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.12 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -70.53 0.09 7.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.604 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -114.6 167.65 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.413 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -119.67 -49.11 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.56 159.35 28.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.404 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.72 129.0 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.4 mt -123.41 103.23 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -82.87 128.4 34.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.225 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 126' ' ' VAL . 61.1 t -131.16 140.36 48.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.995 -179.556 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.8 p90 -151.46 145.09 24.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.453 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' HG13 ' A' ' 25' ' ' VAL . 36.9 m -82.71 144.83 29.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.011 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 43.2 pt -76.02 -35.94 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.689 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 95' ' ' ILE . 34.9 p -68.92 -12.23 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.829 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.48 98.39 6.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.98 -18.08 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.42 -26.5 60.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.142 0.496 . . . . 0.0 110.435 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.3 m -67.96 -54.05 21.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.858 -179.037 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -59.34 -35.26 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.549 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.5 p -71.84 -53.42 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.776 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.88 85.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.9 p -57.96 -32.55 67.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.6 69.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.92 -45.48 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.609 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -59.48 -24.78 63.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -49.2 -48.39 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -36.17 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.28 -27.32 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.7 -43.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.446 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.58 -25.82 65.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.914 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -50.72 -50.99 54.01 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.6 m -69.53 -47.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.89 -179.292 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.7 mmtt -87.38 33.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.788 0.328 . . . . 0.0 111.072 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.83 57.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -96.62 -16.76 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -93.96 175.3 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.52 -48.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.4 mmtt -82.78 120.57 25.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.5 mm -123.81 104.12 33.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 36.7 Cg_endo -65.38 105.94 0.79 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.166 1.911 . . . . 0.0 111.872 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 54.6 tp -127.64 159.86 33.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 -179.706 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 55.5 tp -167.92 124.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 154' ' ' TYR . 1.9 p -92.45 143.0 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 0.0 111.176 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.575 HG13 HG11 ' A' ' 168' ' ' VAL . 15.9 t -136.13 114.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.73 8.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.104 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -102.08 -176.31 3.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.704 0.288 . . . . 0.0 110.392 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.403 ' HZ3' HD12 ' A' ' 132' ' ' LEU . 3.2 mmmp? 55.54 21.21 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 63.6 m -66.26 -6.19 13.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.77 1.21 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.498 179.403 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.403 HD12 ' HZ3' ' A' ' 129' ' ' LYS . 50.1 mt -128.1 51.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.61 -12.48 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.35 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.97 -31.66 56.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.03 24.54 10.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.341 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -59.89 109.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 60.3 mt-30 -72.75 -31.46 64.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.74 99.54 22.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 52.5 Cg_exo -54.66 131.96 48.79 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.163 1.909 . . . . 0.0 111.462 179.218 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.1 p -49.47 -46.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.486 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.6 mt-10 -54.41 -44.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.386 -179.363 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.78 -39.68 91.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.84 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 57.6 mtm180 -73.08 -37.73 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.685 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 40.8 t -66.11 -40.4 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.484 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -74.96 -46.91 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.043 -179.679 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -61.77 -42.43 98.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.689 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.63 -31.94 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 145' ' ' SER . 9.5 mm-40 -52.84 -45.47 67.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.553 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.456 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 12.4 m0 -66.91 -16.23 64.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 96.49 30.74 7.51 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.04 -176.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.379 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.63 128.6 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.5 ' HA ' HG13 ' A' ' 125' ' ' VAL . 26.2 t80 -96.09 134.84 38.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.16 153.32 37.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.41 138.49 31.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.6 p -145.27 152.84 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.576 -179.354 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.3 m -122.22 110.19 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -0.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.775 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.69 -49.83 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.755 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.4 p -87.35 -3.74 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.402 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.536 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 4.3 ppt_? 35.13 44.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.906 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.6 -55.84 5.02 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.221 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.55 15.78 22.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.2 p -68.55 -44.77 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 10.5 m-20 -73.81 -15.43 61.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.337 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -75.17 -32.01 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.575 HG11 HG13 ' A' ' 126' ' ' VAL . 33.2 m -79.04 -26.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.207 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -71.43 -47.67 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.781 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.86 -29.7 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.38 -47.78 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.3 tp -71.69 -32.72 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.443 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.3 ttm -55.02 -39.09 68.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.449 ' HG2' HD21 ' A' ' 57' ' ' LEU . 85.2 mtm180 -68.7 -37.24 79.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.17 -27.15 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 173' ' ' MET . 95.0 mt -68.51 -54.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.819 0.342 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.431 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 13.6 ptm180 -70.15 -27.7 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.7 m -89.42 -60.54 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 80.0 tttt -71.17 -54.45 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -59.07 -45.64 90.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.623 0.249 . . . . 0.0 111.669 -178.516 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.431 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 43.3 mtt -64.32 -12.2 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.173 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 70.1 m -71.04 -60.56 2.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 57.21 29.33 16.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 62.28 176.18 0.13 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.026 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.968 -179.683 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.423 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.14 151.92 19.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -179.743 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -124.36 110.0 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.739 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.64 138.08 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.9 mttp -119.38 123.12 43.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -104.73 138.3 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 179.599 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -101.91 113.98 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.071 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 tpt -74.96 86.16 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.7 p -95.27 160.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 111.056 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.21 -171.44 43.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.374 -179.833 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 t -55.05 -44.22 74.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.753 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.06 -15.35 1.52 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.253 -179.805 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.34 68.58 0.13 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.4 m -117.93 -14.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 0.0 111.371 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.6 41.7 0.48 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.82 -52.38 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.81 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.3 p -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.297 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.24 -52.97 56.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 HG11 ' A' ' 92' ' ' VAL . 6.6 mt -61.19 -25.06 66.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.038 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.0 m -70.28 -44.2 68.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.263 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.37 -39.6 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.524 HE21 ' HB3' ' A' ' 162' ' ' ARG . 13.9 mm100 -56.27 -38.33 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -72.72 -25.41 61.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.293 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.1 tpp -81.88 -49.63 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.311 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.0 -7.68 10.35 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -177.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.5 t70 59.84 33.42 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 110.406 -179.689 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.46 131.95 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.84 110.13 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 42' ' ' ASP . 44.9 t -108.73 139.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.23 -32.24 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.8 t70 -62.45 106.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -80.89 173.67 12.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -146.33 103.73 4.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 154.79 19.44 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.362 2.041 . . . . 0.0 112.041 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 69' ' ' THR . 44.9 m -94.87 137.45 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.278 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.8 -61.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.509 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.02 -22.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -74.5 132.83 42.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.771 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.428 ' OG ' ' HG ' ' A' ' 67' ' ' LEU . 17.1 m -123.68 174.93 7.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 50.1 m-85 -98.47 146.92 25.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -149.92 137.78 20.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -156.23 172.84 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -105.98 124.73 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.89 149.68 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -95.53 134.77 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.441 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.6 tp -135.67 113.7 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.549 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 54.83 31.32 15.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.16 -32.48 6.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.36 113.76 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.3 tt0 -80.13 124.22 28.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.484 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.36 147.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.87 136.27 34.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -112.66 134.99 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -119.08 120.96 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mt -119.56 128.3 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.375 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HG ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -100.43 128.62 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 179.511 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.12 -50.04 49.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.538 ' HA ' HG21 ' A' ' 46' ' ' THR . 25.4 m 62.6 117.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.632 179.686 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.97 -170.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.19 97.23 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.366 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 89.7 mt -83.73 10.74 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -179.921 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.24 9.19 29.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.041 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -104.3 -32.86 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 65.2 m-85 -77.47 130.25 36.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.79 97.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.379 -179.828 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.54 -4.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 29.3 mt -70.13 -18.96 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 17.4 ptp180 -64.26 -30.77 71.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.74 -31.3 71.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.644 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -51.03 -34.73 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.41 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -75.76 -35.37 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.817 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -83.21 -15.86 48.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -80.15 -40.09 28.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.702 0.287 . . . . 0.0 111.235 -179.433 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -90.6 14.01 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.32 158.98 13.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.824 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -107.85 -60.48 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 110.8 179.862 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -87.81 163.16 33.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.48 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -142.46 124.93 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 124' ' ' LEU . 28.6 mt -118.41 102.55 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 179.567 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.3 tp -83.03 123.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.398 179.641 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 30' ' ' LEU . 38.9 t -128.29 137.18 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 111.892 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HB3' HG21 ' A' ' 104' ' ' THR . 31.7 p90 -144.31 140.55 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.153 178.806 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 29.4 m -71.0 128.59 36.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 1.5 pp -63.26 -37.07 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.438 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 97' ' ' GLU . 8.0 t -74.21 -16.63 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 43.0 mt-10 -111.81 97.53 6.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.849 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.09 -16.29 59.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.41 -26.93 61.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.3 m -70.21 -45.78 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.099 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.32 -38.1 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -71.83 -53.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.51 -179.443 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.39 80.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.9 p -56.5 -37.68 70.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.9 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.15 66.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.482 -179.5 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.37 -45.57 75.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.7 -26.09 68.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 44.7 mt-10 -70.53 -39.72 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -57.13 -29.88 63.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.18 -48.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.36 -26.53 66.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 30.7 mmm180 -56.01 -50.29 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.8 m -72.94 -24.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.618 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.556 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.71 40.21 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.33 -9.8 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -98.16 -26.64 14.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.34 151.85 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -108.6 -32.91 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.5 96.51 10.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.652 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -108.89 104.7 55.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.515 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 37.5 Cg_endo -65.59 107.2 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.454 2.103 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -123.83 152.5 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.126 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 123' ' ' LEU . 53.9 tp -162.09 117.13 1.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.7 p -91.94 141.11 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.177 0.513 . . . . 0.0 111.576 -179.032 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 168' ' ' VAL . 16.9 t -132.15 148.47 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.85 129.08 9.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.27 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -107.79 -178.34 3.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 30.1 mmmt 57.94 18.21 4.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.414 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.0 t -60.42 -15.0 22.16 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.07 1.64 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 49.7 mt -121.5 67.66 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.86 -24.19 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.7 pt-20 -80.14 -24.54 40.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 88.5 mtt180 -101.32 -0.59 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.8 ttm105 -66.75 109.06 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.35 -26.01 18.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 93.9 t -102.16 103.72 32.08 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 23.3 Cg_endo -61.81 130.72 32.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.127 1.885 . . . . 0.0 111.36 179.125 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -48.71 -43.7 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.632 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.3 pt-20 -54.51 -37.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.5 tt0 -75.37 -44.41 45.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.726 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.55 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtt180 -70.87 -32.71 69.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.78 -51.45 55.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.005 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.36 84.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.3 98.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.436 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.62 -32.46 58.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.032 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.38 -48.05 68.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.795 179.571 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.88 -18.67 65.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.14 22.4 9.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.594 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.473 HG11 ' HB3' ' A' ' 123' ' ' LEU . 16.9 m -123.03 176.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.301 0.572 . . . . 0.0 112.253 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -119.94 134.16 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.738 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HD1' HG22 ' A' ' 125' ' ' VAL . 30.0 t80 -101.51 144.49 30.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 111.544 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.4 151.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.459 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.06 141.45 28.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 164' ' ' ASN . 25.9 p -152.38 158.43 42.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 111.599 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.0 m -122.43 111.19 16.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.4 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -67.28 -5.76 15.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.341 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -89.31 -43.61 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.731 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.9 p -92.31 -4.32 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.524 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 34.7 39.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.638 0.586 . . . . 0.0 112.231 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.61 -56.48 4.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.769 -179.418 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.526 ' HB2' HG22 ' A' ' 157' ' ' THR . 83.5 m-20 -112.68 19.29 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.743 -179.708 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.4 -47.14 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.304 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.68 -14.84 61.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -64.49 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.029 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 126' ' ' VAL . 32.1 m -85.51 -27.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.31 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.49 -43.87 79.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.85 -30.05 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.931 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.16 -52.9 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.09 -35.11 76.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.072 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 11.0 ttp -54.66 -38.47 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -68.12 -34.25 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.48 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.992 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.592 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 70.3 mt -64.8 -34.89 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -76.1 -47.81 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.792 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.3 m -87.33 -59.03 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.86 -53.98 26.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -177.244 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 28.9 tptp -60.82 -46.09 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.647 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -13.26 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.468 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 t -65.05 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 110.631 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.23 98.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -140.6 109.49 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.925 -179.957 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.418 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.8 155.2 16.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.654 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.46 119.39 31.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.264 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -113.82 106.36 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 90.0 mttt -88.26 124.97 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.478 -179.392 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.19 130.45 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -111.69 120.84 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.328 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 96.0 mmm -66.94 94.08 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.337 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.8 p -106.47 163.6 4.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.696 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.73 -149.64 11.15 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.509 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -66.22 -47.04 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.6 -13.84 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.169 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.755 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 93' ' ' PHE . 14.2 m -131.25 -27.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.9 34.94 0.09 OUTLIER Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 45.5 mtmt -58.24 -55.09 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 96.2 p -61.77 -30.83 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.154 0.502 . . . . 0.0 111.258 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.36 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.603 -179.408 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 92' ' ' VAL . 1.9 mt -61.1 -25.06 66.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.241 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.5 m -68.64 -50.16 53.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.75 -29.17 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 18.9 mm-40 -74.09 -28.44 61.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -73.6 -50.4 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.384 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 46.7 ttm -82.55 -50.29 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.224 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.02 -21.29 18.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.278 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 59.11 35.94 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.368 -179.588 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -141.82 128.53 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HB2' HE22 ' A' ' 33' ' ' GLN . 81.2 t80 -73.96 114.24 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 42' ' ' ASP . 47.3 t -129.4 123.7 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.63 -29.65 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' H ' HG12 ' A' ' 40' ' ' VAL . 11.3 m-20 -60.41 148.27 37.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -125.79 168.6 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.63 101.71 11.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.741 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -48.68 152.39 4.32 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.573 2.182 . . . . 0.0 112.484 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.6 m -112.48 143.52 43.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.425 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -139.91 -47.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.659 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.76 -11.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -74.3 127.63 33.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -115.99 168.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -114.43 149.05 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.5 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttm180 -150.94 137.95 19.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.55 141.75 17.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -80.13 130.29 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.847 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.24 151.6 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.66 138.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.0 tp -139.74 96.64 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 57.94 31.54 20.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -32.12 7.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' HG3' HG13 ' A' ' 62' ' ' VAL . 10.6 tp10 -79.15 116.17 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.785 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -85.9 117.42 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 60' ' ' GLU . 34.0 m -136.16 140.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.753 179.663 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 26.8 mt-30 -89.22 142.87 27.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.01 -179.541 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 tt -112.29 132.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 19.8 t70 -107.06 113.97 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.8 mt -106.22 145.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.26 105.48 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.24 131.18 49.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -131.0 105.08 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.27 -171.42 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.595 179.565 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 100.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.273 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.53 2.77 5.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.679 0.276 . . . . 0.0 111.186 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 57.99 -158.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.9 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.3 124.29 37.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.556 -179.542 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.6 140.55 24.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 179.349 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.83 53.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.418 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.53 11.92 0.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.409 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.27 -45.5 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -70.89 -31.24 67.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.8 -31.14 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -50.1 -40.71 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -61.27 -35.73 78.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.4 m-85 -75.29 -19.99 59.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.074 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HA ' ' HB ' ' A' ' 114' ' ' VAL . 75.3 ttt180 -83.76 -38.94 20.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.149 -179.802 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.5 p -62.7 -22.13 66.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.53 167.93 24.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.342 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.53 -48.56 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.81 164.71 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.259 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.1 148.02 52.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -132.0 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.0 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.054 -179.267 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 30' ' ' LEU . 23.1 t -134.88 136.62 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.112 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 7.7 p90 -144.13 157.03 44.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.175 178.087 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -97.43 146.38 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.482 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.9 pt -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.361 179.59 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.47 HG21 HD12 ' A' ' 132' ' ' LEU . 75.5 p -72.61 -20.35 61.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.855 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.47 96.4 5.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.87 -16.24 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.612 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.28 -26.45 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.679 -179.331 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -68.3 -44.44 75.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.065 -179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -56.2 -37.78 70.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.443 -179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -72.69 -54.35 9.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.65 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -59.21 -35.13 73.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD21 ' A' ' 91' ' ' LEU . 4.8 p -60.2 -38.08 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.468 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.41 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.891 178.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 10.1 tp10 -65.62 -32.39 73.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.43 179.374 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.03 -24.74 43.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.671 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -49.11 -42.38 39.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.48 -33.14 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.5 -179.735 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -72.37 -27.35 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.56 -43.25 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.493 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.42 -26.08 66.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.805 -179.553 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -54.64 -50.68 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.716 0.293 . . . . 0.0 111.627 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 83' ' ' PHE . 5.5 m -67.93 -11.94 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.741 -179.594 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 75.3 mmtt -125.98 68.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.806 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.58 -26.73 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.768 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.4 4.57 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 44.4 tt0 -120.91 139.72 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.776 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.31 -4.95 18.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.182 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.495 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 75.3 mmtt -120.7 95.82 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.217 -179.76 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -109.6 109.66 59.79 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.04 124.97 17.51 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.234 1.956 . . . . 0.0 112.072 179.691 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 44.1 tp -138.37 156.02 48.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.05 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.5 tp -163.27 129.89 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.279 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.681 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.2 p -106.0 143.89 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.51 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.477 HG13 HG13 ' A' ' 92' ' ' VAL . 9.8 p -148.57 154.99 9.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.223 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -121.01 106.51 1.14 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.017 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -81.67 -169.73 2.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -179.413 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 59.24 18.62 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.6 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.2 t -63.34 -10.84 18.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.48 -14.32 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.089 0.471 . . . . 0.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD3' ' A' ' 135' ' ' ARG . 22.2 mt -114.09 86.84 2.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.57 179.685 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.524 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.0 mt-10 -72.68 -24.45 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.176 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.43 -35.52 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 132' ' ' LEU . 38.8 mtp180 -87.89 15.94 6.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.524 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.0 ttm180 -87.55 109.23 19.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.393 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -90.75 -28.51 18.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.418 -179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.28 110.26 45.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.414 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.54 142.45 90.14 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.193 1.929 . . . . 0.0 111.534 179.243 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 12.6 p -59.26 -38.01 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.52 -43.56 89.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.435 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.92 -45.26 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.369 -179.506 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.61 79.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 154' ' ' TYR . 95.8 mtt180 -60.5 -44.73 95.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.77 -179.665 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -56.17 -39.93 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.583 -179.442 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -48.52 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.565 -179.276 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.681 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.78 -28.6 69.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.714 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.33 -27.38 55.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 179.422 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -81.34 -15.49 55.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.56 24.78 15.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.961 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.87 177.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.127 0.489 . . . . 0.0 111.454 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.78 132.23 54.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.127 179.549 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.633 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.0 t80 -96.47 141.98 29.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.158 0.504 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 152.13 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.851 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.19 138.85 31.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 63.1 p -146.47 160.44 42.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.438 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.2 p -125.19 109.01 12.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.752 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.414 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -71.11 6.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.589 -179.768 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -97.63 -52.76 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.627 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 30.3 p -86.83 5.05 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.15 37.42 0.05 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.93 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.73 -179.589 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.8 m-20 -112.26 23.86 13.2 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.497 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -68.29 -39.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.707 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 169' ' ' PHE . 6.7 p-10 -73.97 -14.91 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.144 179.551 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 48.1 tptt -56.65 -37.88 71.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.967 -179.304 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 165' ' ' VAL . 21.2 m -75.98 -30.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.868 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 169' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' A' ' 166' ' ' ASP . 98.8 m-85 -74.39 -45.62 45.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -72.16 -44.24 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.58 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.2 -53.78 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.699 0.285 . . . . 0.0 110.985 -179.783 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.5 tp -61.75 -33.4 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.3 ttm -54.44 -42.64 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -68.7 -35.03 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -70.52 -26.4 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 172' ' ' LEU . 97.3 mt -72.25 -49.72 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.306 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.9 ptm180 -73.38 -24.68 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.547 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -88.46 -60.05 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -71.59 -54.45 10.4 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.375 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -53.73 53.82 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -60.86 -17.23 49.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.609 0.243 . . . . 0.0 111.581 -179.085 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 39.9 t -69.13 -50.14 50.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.24 21.0 7.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 47.5 t30 58.37 93.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.097 179.961 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.421 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 -176.16 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.11 97.43 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.617 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.53 120.17 40.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 50.2 mttp -104.27 137.09 42.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -117.97 125.87 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.25 115.4 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mmt -67.52 97.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.9 p -106.6 167.07 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.32 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 151.27 -148.42 19.48 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.911 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.765 ' N ' HG22 ' A' ' 104' ' ' THR . 29.0 t -56.35 -63.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.958 0.408 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.77 37.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.381 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 84.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.07 -34.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.93 35.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' ' H ' ' A' ' 28' ' ' SER . 15.6 ptpt -65.94 -56.51 11.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.204 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.538 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.6 p -54.91 -30.05 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.18 0.514 . . . . 0.0 110.864 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.87 -52.8 61.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.701 -179.416 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 92' ' ' VAL . 3.5 mt -61.96 -25.17 67.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.437 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.591 HG23 HG21 ' A' ' 66' ' ' ILE . 88.7 m -65.8 -47.92 73.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.21 -179.664 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.02 -36.41 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.039 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.1 mm100 -60.08 -39.13 85.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -72.28 -25.02 61.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.559 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.1 tpp -81.43 -49.42 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.158 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -119.93 -1.7 10.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.3 m-20 56.94 38.24 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.895 -179.717 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -148.91 143.57 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.19 106.66 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.59 141.18 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.66 133.4 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.96 -61.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 58.67 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -112.63 144.97 32.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.52 158.01 47.91 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.509 2.14 . . . . 0.0 112.15 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -127.46 122.55 33.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -149.89 -44.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.41 -16.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.74 125.6 29.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' ' 67' ' ' LEU . 65.2 p -126.93 176.79 7.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -102.63 163.12 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' ILE . 37.6 ttpt -151.18 157.3 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.431 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.59 125.93 47.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 111.354 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.52 137.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.649 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.85 144.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -138.08 97.7 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 55.26 30.79 15.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.72 29.45 8.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.747 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.61 113.14 4.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.72 115.19 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 169.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -106.53 118.77 37.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.515 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 53' ' ' LYS . 13.6 tt -105.43 132.51 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.1 t70 -118.46 116.68 27.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 31' ' ' THR . 57.2 mt -108.69 137.3 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 50' ' ' SER . 40.1 tp -139.13 105.26 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.5 116.59 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.822 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.1 p -84.61 -26.91 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.449 -179.756 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.6 -168.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.02 111.55 3.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.335 179.743 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD22 ' HG2' ' A' ' 79' ' ' ARG . 6.9 mp -73.62 -39.14 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.588 0.232 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 64.97 -80.28 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.11 -159.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.282 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.485 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 58.6 m-85 66.94 129.79 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.304 179.897 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -53.81 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.599 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.06 10.99 2.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 46.7 mm -61.68 -17.78 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.44 179.496 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HG2' HD22 ' A' ' 72' ' ' LEU . 65.0 mtm180 -60.35 -38.24 83.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 179.648 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.17 -32.8 64.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.422 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -52.03 -52.99 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -179.598 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -62.71 -42.36 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.664 -179.343 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -62.94 -19.18 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.218 -179.694 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -79.62 -48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.134 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 t -68.55 -7.6 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.82 136.33 12.67 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.04 -7.73 38.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.32 155.75 24.19 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.22 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -132.8 138.4 47.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.3 . . . . 0.0 111.065 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -127.18 109.59 12.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 179.699 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.82 103.83 12.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.461 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 126' ' ' VAL . 4.0 t -111.44 137.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.942 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.1 p90 -153.47 146.4 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 178.517 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -83.07 145.3 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' A' ' 129' ' ' LYS . 31.0 pt -76.02 -32.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 38.3 p -74.34 -5.29 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -124.65 89.1 3.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -63.1 -17.2 62.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.874 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.57 -26.6 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 104' ' ' THR . 25.3 m -70.99 -51.56 24.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.648 -179.189 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -49.09 -42.99 40.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.51 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -71.07 -42.2 69.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.568 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.37 75.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.765 HG22 ' N ' ' A' ' 22' ' ' SER . 44.9 p -66.42 -34.55 78.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.52 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.68 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.07 -179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 16.7 mm-40 -64.1 -45.91 86.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.89 -24.94 67.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.524 -179.866 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.01 -52.34 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.0 pt-20 -70.67 -34.85 72.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 -179.747 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 10.0 mt-30 -58.51 -24.66 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.847 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.81 -37.02 77.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.05 -26.23 65.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.0 -179.55 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 20.7 mmm180 -50.67 -50.36 54.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.748 0.309 . . . . 0.0 111.617 -179.161 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.5 m -73.07 -18.58 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.829 -179.545 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 74.6 mmtt -115.83 45.01 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.046 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -21.02 66.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.326 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.5 OUTLIER -102.25 -29.95 11.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.2 tp10 -80.56 125.9 30.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.57 -56.43 4.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -69.58 120.6 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.5 mm -118.71 105.99 44.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.377 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.09 121.59 8.21 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.343 2.029 . . . . 0.0 111.785 179.49 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.0 tp -148.12 161.72 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 44.3 tp -161.01 131.22 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.66 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.0 p -100.91 143.06 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.257 -179.303 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 92' ' ' VAL . 15.0 p -142.4 149.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.59 -179.594 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.75 106.18 1.35 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.863 179.476 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -79.92 -172.3 3.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.75 0.309 . . . . 0.0 110.659 -179.364 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB3' HG12 ' A' ' 95' ' ' ILE . 10.2 tppt? 60.51 14.8 5.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.343 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -57.41 -18.46 18.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.389 -179.383 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.38 -22.18 52.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 50.9 mt -106.71 82.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.82 -33.02 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -76.24 -10.97 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.8 mtt180 -114.98 12.47 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.211 -179.782 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.9 ttm180 -77.81 110.44 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.459 179.703 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -87.18 -32.34 19.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.93 105.49 24.15 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.471 -179.708 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.04 135.69 64.37 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.089 1.86 . . . . 0.0 111.405 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -52.34 -45.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.667 -179.281 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.54 -48.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.514 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.27 -40.24 93.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.62 -28.75 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtt180 -76.12 -39.74 54.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.298 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.89 -41.17 97.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.809 -179.026 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.57 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.312 -179.342 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.66 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.14 -33.78 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.869 -179.33 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.22 -32.0 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.672 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 10.5 m0 -68.08 -24.63 65.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.71 24.86 6.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.199 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.32 165.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -106.9 139.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.847 178.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.611 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -104.08 139.38 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.335 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -135.33 153.09 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.861 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -89.83 138.18 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.3 p -145.57 154.8 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.122 0.487 . . . . 0.0 112.018 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 160' ' ' LYS . 21.2 t -129.0 111.2 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.35 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.31 7.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.452 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 158' ' ' SER . 29.1 tptp -99.46 -54.03 3.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 t -90.16 3.7 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.091 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.466 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 34.55 43.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.107 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.14 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.556 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 4.4 m-20 -112.18 23.35 13.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.35 179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.6 p -66.13 -42.6 91.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.418 179.449 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.87 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.556 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 20.2 tptm -57.1 -31.82 65.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.117 -179.306 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -84.53 -27.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.21 -46.87 31.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -72.22 -39.47 68.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.639 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.33 -53.68 48.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.345 -179.492 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 176' ' ' ILE . 52.0 tp -62.14 -32.73 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.6 ttm -55.99 -45.86 78.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 23.9 mmm180 -68.39 -35.84 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.93 -32.03 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.4 mt -71.66 -46.97 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.464 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.481 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 11.9 ptm180 -74.38 -25.94 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.856 -179.21 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 91.2 m -87.7 -59.42 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -70.97 -54.6 10.74 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.818 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 86.7 tttt -61.76 -56.84 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -54.2 -18.08 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.133 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 38.1 m -83.69 -40.0 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.681 0.277 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 59.94 -179.93 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.074 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -103.66 132.18 50.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 179.91 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.932 179.971 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 100.71 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -83.98 104.42 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.81 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -103.92 124.71 49.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -92.44 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.469 -179.371 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.1 139.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.59 125.72 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.465 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.25 105.33 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.738 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.1 p -117.94 162.48 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 160.3 87.28 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.067 -179.768 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 104' ' ' THR . 29.3 t 59.62 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.793 0.33 . . . . 0.0 111.367 179.481 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.7 -49.79 0.09 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.29 64.11 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.16 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 HD21 ' A' ' 128' ' ' ASN . 93.8 t -108.98 -48.85 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.233 -179.664 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.93 37.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.304 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' MET . 26.5 mtmm -53.08 -36.69 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.514 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.3 p -72.49 -29.16 63.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.978 179.647 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.06 -52.34 65.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.164 -179.022 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -62.71 -25.37 68.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.444 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.7 m -66.38 -57.38 7.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.595 -179.414 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.27 -30.15 68.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.628 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.1 mm100 -72.69 -40.12 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 111.105 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.04 -35.09 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.5 mtp -82.45 -49.46 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.429 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -99.74 -20.16 16.39 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 m-20 61.24 33.91 18.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.184 0.516 . . . . 0.0 110.086 -179.164 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.75 134.86 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.65 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -89.26 108.7 19.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.5 t -136.44 135.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.71 108.21 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.976 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -161.44 141.71 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -111.55 141.59 44.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -140.65 102.98 6.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.41 154.13 31.23 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.422 2.081 . . . . 0.0 112.678 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -82.19 103.35 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.34 33.55 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.5 15.71 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.283 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -106.7 126.23 52.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -99.36 176.09 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.808 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -107.3 162.29 14.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -141.23 130.44 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 111.299 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -165.31 152.06 10.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.955 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HE3' ' OE1' ' A' ' 61' ' ' GLU . 5.5 pttt -133.73 137.39 45.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.378 . . . . 0.0 111.094 -179.705 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.56 160.54 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.242 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.2 p -73.67 144.56 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 173' ' ' MET . 45.2 tp -135.96 99.62 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.16 30.97 13.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.16 -48.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.786 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -86.35 117.06 24.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.1 tt0 -84.34 114.99 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.12 152.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -86.54 164.42 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.05 146.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.901 0.382 . . . . 0.0 111.354 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -128.06 120.21 26.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.28 143.47 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.1 tp -131.51 118.76 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.91 128.25 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.9 p -118.25 150.35 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.458 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.92 -166.78 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.91 95.4 0.07 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.318 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 79' ' ' ARG . 83.1 mt -79.26 4.72 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.658 0.265 . . . . 0.0 111.337 -179.643 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.54 16.15 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.22 -12.46 12.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -96.26 150.35 20.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.81 14.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.335 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.74 -12.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.239 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.69 -19.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.194 0.521 . . . . 0.0 110.304 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.498 ' HA ' HD22 ' A' ' 72' ' ' LEU . 18.8 ttp180 -60.43 -45.39 93.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.998 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.61 -30.84 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.39 -38.12 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.487 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -69.51 -32.39 71.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.301 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.02 -18.68 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -83.14 -24.07 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 13.91 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.858 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.96 150.82 18.48 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.81 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -98.94 -37.97 9.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.485 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -108.24 159.55 14.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.478 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.8 129.76 26.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 HG23 ' A' ' 168' ' ' VAL . 1.1 tt -120.45 103.47 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.636 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.1 tm? -82.94 129.31 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' N ' HD13 ' A' ' 91' ' ' LEU . 85.5 t -141.62 120.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 111.859 -179.78 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.613 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -121.88 151.25 40.89 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.449 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -89.15 135.16 33.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.33 -179.833 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.473 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 25.7 pt -70.27 -32.14 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.7 p -72.98 -20.84 60.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.533 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.62 97.72 6.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.649 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.77 -16.23 56.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.21 -26.7 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 25' ' ' VAL . 17.8 m -69.99 -53.76 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.043 -179.424 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.06 -40.1 57.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.545 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.3 p -72.79 -54.01 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.457 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.3 81.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.363 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.636 ' HB ' HD11 ' A' ' 91' ' ' LEU . 17.2 p -56.54 -31.76 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.53 -44.7 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.429 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -63.22 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.035 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -48.98 -47.31 44.32 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.913 0.387 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.8 mt-10 -70.63 -40.57 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -56.15 -33.28 65.05 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.6 -46.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.72 -26.6 65.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -55.75 -50.67 69.78 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.6 m -64.51 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.739 -179.23 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 114' ' ' VAL . 0.9 OUTLIER -132.3 77.91 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 111.273 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.96 -33.48 22.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.627 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.79 -38.69 82.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.19 101.39 0.71 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.35 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.78 -29.56 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -107.49 118.04 35.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.2 107.88 32.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.562 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.485 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 18.0 Cg_endo -58.13 110.52 0.65 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.351 2.034 . . . . 0.0 112.154 -179.733 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.46 153.72 46.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -164.95 123.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.326 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.607 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -103.66 142.21 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.066 0.46 . . . . 0.0 111.725 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 168' ' ' VAL . 16.8 t -144.47 152.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.625 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.05 137.02 11.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.324 179.836 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.498 HD21 HG12 ' A' ' 25' ' ' VAL . 37.5 p30 -102.65 -167.64 1.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 95' ' ' ILE . 41.6 mmtm 63.74 17.37 10.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.538 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.9 t -57.62 -14.25 5.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.41 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.59 6.6 6.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.372 . . . . 0.0 110.737 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.558 HD13 ' HD3' ' A' ' 135' ' ' ARG . 33.7 mt -130.74 74.5 1.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.81 -38.11 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.532 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.18 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.459 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.558 ' HD3' HD13 ' A' ' 132' ' ' LEU . 41.7 mtp180 -109.39 -29.45 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.963 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.538 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.0 ttm105 -40.76 108.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.214 -178.881 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 53.5 tp60 -82.59 -32.76 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.11 107.11 29.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 43.6 Cg_exo -56.45 126.71 23.19 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.957 1.771 . . . . 0.0 111.315 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.01 -43.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.213 -179.653 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.0 -49.65 77.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.88 -29.3 69.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.27 -29.26 53.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.8 mtt180 -76.86 -38.46 53.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -62.63 -36.88 84.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.519 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -77.4 -47.95 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.55 -38.95 60.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.558 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.31 -32.09 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.649 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -51.99 -48.07 64.59 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 110.981 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.519 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.0 m0 -65.55 -18.97 65.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.52 13.41 32.77 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.107 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.86 -176.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.144 0.497 . . . . 0.0 111.463 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -125.89 130.27 50.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.69 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.607 ' HD1' HG22 ' A' ' 125' ' ' VAL . 29.3 t80 -94.92 131.28 41.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.0 0.429 . . . . 0.0 111.207 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 126' ' ' VAL . 8.0 p -126.26 154.02 35.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.583 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -90.06 147.17 23.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.657 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 164' ' ' ASN . 37.6 p -150.95 168.03 25.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.95 0.405 . . . . 0.0 111.485 -179.524 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -136.03 108.69 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.684 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.39 -4.38 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.01 -42.37 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -95.01 -0.37 53.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.26 41.86 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.976 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.93 -55.81 5.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.913 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.522 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.3 m-20 -111.79 9.33 20.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.172 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.8 p -58.18 -40.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.977 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.89 -32.95 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.281 179.714 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -56.65 -31.45 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.969 -179.094 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.3 m -73.63 -30.57 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.524 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.52 -40.13 61.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.48 -35.93 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' OD1' HD11 ' A' ' 124' ' ' LEU . 15.8 t70 -61.97 -50.91 70.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 -179.639 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 124' ' ' LEU . 67.3 tp -65.57 -32.22 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 46.6 ttm -54.68 -45.76 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.471 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.61 -36.24 83.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.12 -49.75 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 53.7 mt -58.63 -31.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.519 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 -55.27 5.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.315 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.2 m -87.56 -58.92 2.4 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.401 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -60.65 -54.32 46.78 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.536 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 27.9 tptp -62.07 -58.17 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.659 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -56.63 -15.89 5.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 36.9 t -70.38 -60.67 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.06 159.0 0.09 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -88.96 -14.39 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.802 179.962 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.4 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.37 140.77 30.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.5 tp -114.47 112.47 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.07 123.31 47.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.14 144.23 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 2.9 t -121.36 118.39 55.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.19 105.75 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.744 179.337 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.597 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -62.93 98.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.5 p -103.58 156.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.678 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.87 -161.81 26.74 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.359 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 59.5 p -64.53 -45.35 87.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.401 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.56 31.81 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.23 69.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.295 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -127.07 -31.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.113 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.15 36.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.409 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.2 ptpt -54.7 -34.42 62.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.4 p -66.95 -29.74 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.199 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.22 -52.6 63.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -60.05 -25.16 65.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.2 m -69.08 -57.36 5.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.65 -29.59 66.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.956 -179.198 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.3 mm100 -70.31 -43.12 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -72.98 -28.7 62.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.664 0.269 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.423 ' SD ' HD12 ' A' ' 66' ' ' ILE . 94.0 mmm -82.1 -49.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.398 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -117.87 -15.47 10.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.237 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.8 60.12 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 40' ' ' VAL . 8.7 tp10 -160.83 127.26 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -89.08 106.04 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 38' ' ' GLU . 95.8 t -143.17 140.54 26.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.55 108.79 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -164.67 156.47 15.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.102 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -155.86 152.66 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.43 119.0 8.4 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.8 149.73 40.01 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.405 2.07 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.5 m -90.34 122.88 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -142.13 -60.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.05 7.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.28 130.29 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -137.25 149.71 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.73 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -96.46 159.63 14.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -151.04 134.25 16.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 111.093 179.745 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -163.4 160.49 23.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 57.6 mtpt -115.4 130.07 56.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.33 145.66 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -82.73 135.32 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.9 tp -136.32 111.0 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.729 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' HB2' HH22 ' A' ' 177' ' ' ARG . 21.3 t70 57.37 31.07 19.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.161 0.505 . . . . 0.0 110.594 -179.818 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 -30.53 8.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.62 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -92.83 114.02 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.1 tt0 -82.48 117.71 22.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 179.767 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.0 149.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 21.9 mt-30 -80.74 158.44 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.233 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 17' ' ' VAL . 11.9 tt -144.87 126.08 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.118 0.485 . . . . 0.0 111.573 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.63 113.19 25.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.166 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 ' SD ' ' A' ' 35' ' ' MET . 75.4 mt -101.38 126.85 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 68' ' ' ASP . 1.6 tm? -96.96 133.9 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 67' ' ' LEU . 27.0 t70 -52.44 -71.58 0.07 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.6 -179.331 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 67' ' ' LEU . 29.0 m 66.97 144.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.762 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.23 177.82 7.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.43 108.46 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.327 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -87.42 -72.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 -179.778 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 59.37 18.03 6.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -136.41 -164.12 1.51 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 61.44 -177.5 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.13 -54.17 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.161 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -167.19 28.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 50.6 mm -56.17 -20.56 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -57.08 -49.09 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 179.582 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.23 -39.59 72.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 14.4 m120 -53.58 -34.73 59.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.644 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -76.87 -39.66 50.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -69.55 -17.05 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.402 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -84.28 -22.04 30.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -85.5 13.45 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.514 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 167.34 25.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.797 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.48 -45.9 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.753 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.98 152.3 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.422 179.872 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -128.37 141.03 51.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 124' ' ' LEU . 20.1 tp -133.03 108.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.325 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.1 tp -82.44 137.7 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.898 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -141.04 126.02 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.397 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.448 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.1 p90 -137.55 150.71 47.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.168 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 p -89.07 133.28 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.21 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 129' ' ' LYS . 30.7 pt -71.76 -24.87 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.422 179.494 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.426 HG21 HD12 ' A' ' 132' ' ' LEU . 73.1 p -72.05 -24.31 61.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.667 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -117.78 104.39 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -62.27 -15.88 50.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.1 -26.67 62.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -179.165 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 80.7 p -70.62 -54.25 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.506 -179.251 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -57.53 -34.21 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 111.346 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.0 p -72.79 -54.0 10.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.343 -179.188 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -61.29 -41.13 96.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -179.616 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.657 ' HB ' HD21 ' A' ' 91' ' ' LEU . 16.5 p -54.56 -31.03 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.673 179.2 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.54 -36.0 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.446 -179.457 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.7 -40.85 92.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -53.33 -23.04 8.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.0 -179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -46.56 -46.8 19.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.16 -43.35 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.597 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 1.5 mp0 -56.02 -36.0 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.322 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.59 -43.05 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 111.682 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.81 -26.78 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 23.6 mmt180 -53.88 -49.55 68.29 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.614 -179.502 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -72.76 -29.81 31.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.175 -179.177 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.31 63.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 111.403 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.28 -17.85 35.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -97.1 -4.43 39.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.12 124.88 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.27 -47.36 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 1.1 mptm? -88.12 110.79 20.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.4 mm -108.53 104.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.085 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.02 133.5 33.59 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.245 1.963 . . . . 0.0 112.121 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 124' ' ' LEU . 57.3 tp -153.22 159.2 42.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 90' ' ' LEU . 42.1 tp -163.01 118.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.997 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.609 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -87.51 142.35 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.994 0.425 . . . . 0.0 111.331 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -137.21 146.34 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.75 125.24 6.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.252 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -96.03 -174.5 3.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.855 0.36 . . . . 0.0 110.583 -179.638 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.521 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.8 mmtp 57.62 18.18 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 p -56.93 -32.42 65.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 111.033 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -52.95 -20.46 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.855 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.452 HD13 ' HD3' ' A' ' 135' ' ' ARG . 73.2 mt -103.69 72.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.538 179.6 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.18 -21.49 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.258 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.435 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -81.75 -21.33 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.452 ' HD3' HD13 ' A' ' 132' ' ' LEU . 80.2 mtp180 -106.17 12.45 30.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.0 ttm180 -76.18 112.46 12.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -88.06 -29.41 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.4 t -103.73 103.01 34.21 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.078 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.5 139.14 75.23 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.203 1.935 . . . . 0.0 111.771 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -54.62 -45.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.251 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.4 mt-10 -56.83 -49.92 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.08 -31.07 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.16 -29.09 60.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.215 -179.744 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 141' ' ' GLU . 77.9 mtm180 -72.14 -42.75 65.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -61.08 -43.71 98.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.43 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -73.74 -48.39 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.832 -179.56 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.08 -35.88 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.3 -31.74 71.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.42 -49.0 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.472 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 26.3 m0 -63.34 -22.57 66.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.701 179.448 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.94 18.75 14.4 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.845 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.0 158.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.433 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.31 135.5 41.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.609 ' HD1' HG22 ' A' ' 125' ' ' VAL . 27.1 t80 -98.41 144.73 27.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.08 0.467 . . . . 0.0 111.694 -179.134 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.502 HG21 ' HE2' ' A' ' 167' ' ' LYS . 61.1 t -138.31 152.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.184 -179.861 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.44 144.0 26.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.33 179.589 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.4 p -150.5 156.86 42.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.052 0.453 . . . . 0.0 111.893 -178.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -137.02 111.94 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.463 179.236 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -62.89 -7.83 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.46 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -83.56 -53.43 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.0 t -92.5 -1.07 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.36 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? 33.31 46.32 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.06 -55.95 4.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.138 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 13.28 22.36 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.1 p -61.81 -47.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.3 p30 -73.87 -18.63 60.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.25 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.502 ' HE2' HG21 ' A' ' 155' ' ' VAL . 1.9 tmtp? -64.28 -33.48 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 165' ' ' VAL . 15.1 m -82.26 -26.82 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.28 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -70.87 -44.09 67.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 110.459 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -72.04 -44.59 63.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 179.537 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.53 -50.03 68.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 176' ' ' ILE . 66.2 tp -59.16 -42.2 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.422 ' HE2' HD12 ' A' ' 64' ' ' ILE . 46.5 ttm -54.76 -40.33 69.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 57' ' ' LEU . 77.6 mtp180 -68.89 -35.72 77.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 -179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.73 -27.14 62.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.742 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.0 mt -72.76 -54.51 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.456 -179.767 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.445 ' HA ' ' HG2' ' A' ' 181' ' ' MET . 18.2 ptt180 -63.55 -26.16 68.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.6 m -87.32 -59.68 2.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.377 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -71.07 -54.14 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.342 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -60.08 4.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.761 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 177' ' ' ARG . 23.2 mmt -55.67 -21.95 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.028 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.9 t -64.02 -60.71 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.854 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.4 mt-10 60.06 18.55 7.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 61.67 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.997 179.914 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.69 162.21 25.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -135.54 108.77 7.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.707 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -107.21 153.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.1 mttt -128.64 112.35 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.04 127.2 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.783 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' HA3' ' A' ' 86' ' ' GLY . 32.1 mm -92.27 127.01 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 179.777 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.582 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.9 tpt -81.12 76.62 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -85.29 155.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.51 -167.58 35.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 25' ' ' VAL . 14.2 t -60.9 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.043 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.72 -29.67 0.24 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.277 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.16 41.32 1.31 Allowed Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.941 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 22' ' ' SER . 61.1 t -88.61 -74.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 111.42 -179.618 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 162.37 32.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.769 -179.613 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 41.7 pttt -49.83 -38.21 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.437 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -68.74 -29.74 68.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.08 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.3 -52.62 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.221 -179.078 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -58.97 -25.14 63.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 66' ' ' ILE . 57.7 m -70.45 -46.2 64.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.438 -179.648 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.64 -38.51 77.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.39 -179.533 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.527 HE21 ' HB3' ' A' ' 162' ' ' ARG . 12.9 mm100 -60.6 -39.48 88.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.849 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.7 -25.47 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.121 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.9 tpp -81.98 -49.84 9.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.63 -14.05 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.178 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.4 m-20 64.73 39.92 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -139.9 127.64 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.532 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -86.68 110.79 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.69 143.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.12 -45.32 89.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.726 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.59 130.57 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -134.43 -178.3 4.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.099 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -130.39 118.9 18.28 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.95 135.43 58.36 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.3 2.0 . . . . 0.0 112.345 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 68' ' ' ASP . 26.8 m -91.56 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.05 92.03 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.34 21.31 8.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.219 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -114.87 131.64 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.1 p -118.24 171.82 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 80.8 m-85 -119.44 122.38 41.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.46 131.36 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -149.93 135.42 18.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -79.97 117.07 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.05 142.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.992 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.4 p -75.01 141.18 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -142.66 108.11 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.57 30.9 19.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 -33.45 6.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.661 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -99.08 119.68 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -78.7 118.31 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.195 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.78 144.7 31.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.3 132.39 35.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.023 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 tt -105.7 137.18 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -122.54 116.38 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.578 HG21 HG23 ' A' ' 31' ' ' THR . 70.7 mt -108.71 113.78 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.35 99.37 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' HB2' ' OG1' ' A' ' 46' ' ' THR . 4.0 m-20 -66.04 176.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.45 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.596 HG21 HD11 ' A' ' 72' ' ' LEU . 15.7 p -146.66 -178.59 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 90.9 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.15 62.14 2.16 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.049 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.612 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 86.5 mt -51.43 -17.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.19 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.57 -7.29 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.503 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.98 -48.13 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.294 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -59.04 142.56 50.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.83 -52.15 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.46 -10.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.38 -21.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.612 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 12.4 ptp180 -62.88 -34.54 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.142 -179.814 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.34 -31.37 72.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.323 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.53 -34.66 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -70.36 -47.8 59.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 -179.536 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 114' ' ' VAL . 64.4 m-85 -63.85 -30.68 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.721 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.18 -6.11 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.6 t -95.61 3.69 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -136.53 169.07 23.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.568 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -111.94 -27.66 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.15 166.9 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.421 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -138.13 134.14 34.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 168' ' ' VAL . 14.4 tp -124.44 100.24 6.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.556 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -84.16 104.35 14.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 126' ' ' VAL . 11.0 p -111.49 139.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.857 179.646 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -148.27 164.76 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.868 178.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG13 ' A' ' 25' ' ' VAL . 50.0 m -100.14 149.82 23.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 111.477 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.517 HG12 ' HB3' ' A' ' 129' ' ' LYS . 5.8 pt -78.81 -42.42 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.783 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.2 p -60.45 -29.01 68.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.441 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.57 99.64 9.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.36 -16.83 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.046 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.57 -26.39 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.198 0.523 . . . . 0.0 110.227 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 24.9 m -65.47 -53.53 41.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.271 -179.505 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.17 -34.21 74.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.799 -179.37 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 p -71.75 -53.83 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.23 93.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.712 -179.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' ' 91' ' ' LEU . 10.1 p -57.81 -31.22 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.401 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.14 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -66.76 -44.43 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.76 -25.27 64.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.078 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -49.84 -45.86 50.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.921 0.391 . . . . 0.0 110.312 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 46.5 mt-10 -70.67 -39.43 73.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.917 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.14 -34.23 65.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.029 -179.611 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.7 mt -58.68 -47.33 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.08 -29.9 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.648 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 30.3 mtp180 -60.04 -51.3 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.782 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.58 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -65.94 -13.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.9 mmtt -125.64 64.6 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.0 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.381 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -102.03 22.63 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 110.395 179.668 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 12.8 pt-20 -56.45 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.219 -179.392 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.67 -44.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.624 179.491 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -140.31 90.38 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.987 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.5 mm -89.39 111.09 43.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.677 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.489 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -80.5 135.18 10.36 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.437 2.091 . . . . 0.0 111.911 179.39 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 53.3 tp -144.8 160.66 40.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 33.0 tp -162.16 126.58 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.233 179.286 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.2 p -105.91 143.64 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.821 -179.024 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.634 HG13 HG23 ' A' ' 92' ' ' VAL . 7.7 p -145.97 140.83 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.994 179.421 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.83 108.92 2.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.174 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.3 p-10 -83.2 -161.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.46 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.9 tppt? 65.73 10.7 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -58.99 -10.79 2.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.248 -179.88 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.59 -2.12 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 110.531 179.415 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 135' ' ' ARG . 63.0 mt -128.72 77.31 1.77 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.5 -35.45 73.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -71.71 -9.19 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.501 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.6 mtt180 -116.94 -6.36 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.375 -179.809 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.9 ttm180 -56.84 107.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -86.52 -32.55 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.207 -179.336 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.1 t -92.3 110.48 44.84 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 125.46 16.16 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.946 1.764 . . . . 0.0 111.019 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -49.99 -44.33 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.331 -179.466 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.48 -43.71 72.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.286 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.17 -53.06 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.9 64.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.326 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.1 mtt180 -68.22 -51.07 49.57 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -56.84 -37.71 71.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.689 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -70.46 -48.47 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 179.73 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.418 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.33 -30.49 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.572 -179.284 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.15 -32.3 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.83 -36.02 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -77.51 -18.73 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.46 15.25 27.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.972 -179.641 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.1 -175.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.454 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.13 143.48 49.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.687 178.924 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.601 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.4 t80 -109.7 124.84 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.941 0.4 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.11 154.4 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -89.05 146.37 24.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.783 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 32.8 p -149.33 169.22 21.31 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.652 -179.39 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -138.37 110.98 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.62 179.784 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -67.44 -6.58 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.284 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -90.56 -51.18 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 60.4 p -86.51 -6.8 58.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.527 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.5 ppt_? 37.0 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.037 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.81 -51.37 10.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.802 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.49 8.41 31.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 30' ' ' LEU . 11.7 p -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.074 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.98 -14.79 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.016 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.5 -36.51 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.637 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 p -76.26 -28.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.727 -178.912 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -71.51 -43.94 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.98 -42.65 66.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.66 -51.94 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 172' ' ' LEU . 0.9 OUTLIER -58.21 -49.09 78.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.532 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.458 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 13.6 ttp -53.9 -41.27 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.546 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.69 -37.51 76.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.005 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.42 -32.63 74.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.429 HD11 HD11 ' A' ' 172' ' ' LEU . 86.0 mt -72.84 -50.14 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.38 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 173' ' ' MET . 67.7 mtp180 -58.78 -31.01 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.2 m -87.27 -58.71 2.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.201 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -69.67 -54.08 15.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.939 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.44 -56.46 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.799 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.3 mmt -61.6 -13.04 18.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.766 -179.063 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.4 t -65.71 -57.28 8.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.65 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 56.24 19.99 4.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.456 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.87 129.5 40.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.5 tptm . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.818 179.966 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.42 155.58 40.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.29 116.76 23.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -112.85 149.7 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.4 mttm -128.7 127.0 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.02 130.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.791 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -66.91 94.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.751 179.802 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.6 p -102.72 164.04 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.645 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 170.86 -163.29 36.36 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.768 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.9 t -57.28 -49.56 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.029 0.442 . . . . 0.0 110.766 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.79 -17.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.279 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.85 90.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.561 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.1 m -134.64 -0.36 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.307 . . . . 0.0 111.419 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.42 40.02 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.806 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 35.3 mtmm -64.43 -54.43 32.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.89 0.376 . . . . 0.0 110.658 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -57.13 -29.93 64.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.766 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.63 -52.29 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.474 -179.69 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD11 HG11 ' A' ' 92' ' ' VAL . 5.8 mt -58.05 -25.54 61.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.084 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.6 m -73.81 -39.58 63.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.801 179.698 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.87 -29.66 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' HB2' HG21 ' A' ' 165' ' ' VAL . 11.8 mm100 -76.72 -33.48 58.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.0 110.565 179.826 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -73.45 -48.14 35.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.382 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtp -82.13 -49.91 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -96.96 -28.67 14.08 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 26.5 t70 58.31 60.18 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 -179.191 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -166.8 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.704 -179.631 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -85.52 108.13 17.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.008 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.5 t -135.43 147.03 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.34 -0.62 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.613 ' H ' HG12 ' A' ' 40' ' ' VAL . 16.9 t70 -71.99 97.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -90.86 150.11 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.978 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 44.1 mt-10 -131.16 102.13 15.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.46 128.58 21.64 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.329 2.019 . . . . 0.0 112.09 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -95.78 136.23 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -117.98 -49.41 2.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.695 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.13 -8.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.21 129.4 34.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB3' HD23 ' A' ' 67' ' ' LEU . 81.3 p -107.68 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -112.49 161.12 17.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -150.76 132.48 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -144.93 149.68 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.464 179.832 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 62.3 mttp -109.13 119.63 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.962 0.411 . . . . 0.0 111.21 -179.723 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.07 149.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.932 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.7 p -81.31 145.15 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -138.5 103.29 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 56.02 31.24 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.98 -35.16 5.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.399 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -92.33 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.702 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.7 tt0 -85.77 122.16 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.28 152.82 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.667 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 48.6 mt-30 -81.18 144.92 31.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -121.65 123.37 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.566 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 21.8 t70 -110.02 114.39 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.6 mt -105.54 134.54 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.592 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 50' ' ' SER . 2.3 tm? -132.17 112.74 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.079 179.878 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.68 146.28 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.501 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -128.08 103.79 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 176.42 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.55 107.98 1.88 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HB2' HH21 ' A' ' 79' ' ' ARG . 95.1 mt -86.48 28.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 64.85 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.389 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -160.35 -0.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.001 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -61.81 104.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.96 -16.88 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.361 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.656 -179.6 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.438 HG22 ' HE2' ' A' ' 82' ' ' TYR . 63.1 mt -76.82 -51.25 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.253 -179.708 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.538 HH21 ' HB2' ' A' ' 72' ' ' LEU . 8.9 ptp180 -61.63 -37.82 85.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -57.05 -31.77 65.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.459 179.673 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -70.62 -34.85 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HE2' HG22 ' A' ' 78' ' ' ILE . 60.8 m-85 -66.13 -43.14 87.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.6 m-85 -63.95 -18.01 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.09 -33.53 26.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -87.5 11.28 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.5 148.56 17.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.647 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 180' ' ' LYS . 13.3 mm-40 -107.39 -1.6 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -138.52 159.16 25.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.354 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -137.8 134.82 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 110.971 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -127.0 105.58 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.646 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.575 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.3 tp -82.76 123.36 29.24 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 -179.796 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 30' ' ' LEU . 40.6 t -128.82 135.07 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.793 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.676 ' HB3' HG21 ' A' ' 104' ' ' THR . 11.1 p90 -145.04 147.16 32.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.202 178.507 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.42 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 37.4 t -88.73 147.42 24.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 111.169 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.585 HG12 ' HB3' ' A' ' 129' ' ' LYS . 27.4 pt -77.78 -34.17 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.405 HG21 HD12 ' A' ' 132' ' ' LEU . 28.6 p -71.97 -5.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.646 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -128.34 97.14 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.567 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -62.87 -17.04 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.41 -26.91 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 37.9 m -67.21 -54.19 23.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.694 -179.388 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.05 -37.25 71.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.17 -54.0 10.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.961 -179.229 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.32 91.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.242 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.676 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -54.24 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 110.591 179.379 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.27 65.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.216 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -69.43 -47.07 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.701 179.813 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.8 -25.66 65.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.005 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -54.24 -44.3 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.49 -33.36 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.589 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 64.7 mt-30 -64.68 -29.8 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.63 -45.05 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.92 -26.83 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.913 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.589 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 27.5 mmt180 -53.05 -50.77 63.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.877 0.37 . . . . 0.0 111.668 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 14.8 m -69.77 -39.42 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.734 -179.522 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -96.08 35.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.821 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.94 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.98 -36.56 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.25 173.9 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.021 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -124.99 -50.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -80.02 97.2 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.46 179.8 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.37 120.89 49.21 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.534 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.9 Cg_endo -74.6 124.28 8.71 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.339 2.026 . . . . 0.0 112.022 179.692 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.9 tp -147.24 156.87 43.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.639 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.8 tp -157.72 125.88 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.288 179.357 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.583 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.9 p -99.0 143.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 92' ' ' VAL . 9.8 p -147.32 146.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 111.487 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -118.17 105.89 1.28 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.809 179.573 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 157' ' ' THR . 22.7 p-10 -80.33 -163.94 0.63 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.585 ' HB3' HG12 ' A' ' 95' ' ' ILE . 32.3 tptt 63.37 12.97 6.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.0 m -55.77 -14.75 2.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.355 -179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.62 -3.55 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.333 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.523 HD13 ' HD2' ' A' ' 135' ' ' ARG . 74.7 mt -126.53 79.09 1.83 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.718 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -71.24 -23.21 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.89 -9.4 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.027 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.523 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -116.54 11.05 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.179 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.449 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.6 ttm180 -74.83 108.42 7.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.23 -34.41 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.475 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.1 t -87.07 111.86 43.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.33 156.62 34.59 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.173 1.916 . . . . 0.0 111.891 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 94.0 t -68.09 -66.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.468 -179.783 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -53.67 -27.79 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.721 -179.135 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.04 -44.38 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.46 67.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.4 mtt180 -77.69 -40.82 40.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -179.759 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -50.48 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.697 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -48.89 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.337 . . . . 0.0 111.065 -179.436 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.4 -28.63 69.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.402 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.94 -32.39 69.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.019 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.03 -36.85 65.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -72.91 -22.53 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.69 31.45 4.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.466 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.38 173.96 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.57 132.79 55.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.762 179.099 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.583 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.4 t80 -95.63 138.86 32.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.176 0.512 . . . . 0.0 111.671 -179.104 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.12 154.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.041 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.86 141.58 28.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 67.8 p -150.33 173.54 13.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -147.82 111.62 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.69 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.71 -6.63 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 49.7 p -83.67 -9.46 58.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.421 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 37.44 35.12 0.05 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.862 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.55 -55.73 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.737 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.07 18.67 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.6 p -64.34 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.579 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.1 -14.54 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.558 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -62.64 -37.55 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 28.0 m -71.9 -27.1 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.418 -178.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.09 -46.75 32.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -71.82 -47.52 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.365 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.43 -54.04 46.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.28 -35.63 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.754 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.7 ttm -57.6 -44.06 85.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.571 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -69.56 -34.65 74.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.027 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 15.6 mm-40 -60.63 -35.76 76.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.2 mt -66.24 -37.96 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -76.36 -43.47 40.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.969 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 58.6 m -87.68 -58.75 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.077 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 80.1 tttt -69.67 -54.42 13.97 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -177.145 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.9 tttt -61.97 -35.46 78.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.168 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -81.97 -39.62 23.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -178.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.0 m -94.19 -62.99 1.24 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.495 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 179' ' ' LYS . 8.5 pt-20 179.33 173.51 0.82 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.242 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -54.86 -30.82 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.802 -179.972 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -86.07 141.13 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.609 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 tm? -108.63 103.41 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -104.45 146.1 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.583 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.16 128.9 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.261 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.68 137.2 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.775 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.4 mm -106.33 132.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.295 -179.838 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.418 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -86.04 90.33 8.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.332 179.728 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.9 p -100.99 154.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.353 -179.706 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.64 -161.9 26.79 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.364 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.548 ' HB3' HG23 ' A' ' 25' ' ' VAL . 13.0 t -59.15 -61.99 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.672 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.29 -36.78 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.032 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.5 46.57 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.143 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 22' ' ' SER . 70.1 t -90.94 -66.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 0.0 111.268 -179.736 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.81 37.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.813 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -48.47 -48.03 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.994 0.426 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 31' ' ' THR . 60.5 p -66.0 -29.81 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 179.874 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.14 -53.4 54.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.367 -178.7 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -61.21 -24.84 66.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.372 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 28' ' ' SER . 58.8 m -71.9 -44.39 63.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.819 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.38 -42.73 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.569 -179.25 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 10.2 mm100 -55.96 -39.47 71.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 -179.683 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.75 -25.47 61.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.721 0.296 . . . . 0.0 111.483 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.2 tpp -81.94 -49.6 10.1 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.276 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.3 -3.1 10.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.6 m-20 58.83 29.51 18.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.39 140.7 35.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -91.39 107.3 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 42' ' ' ASP . 27.6 t -114.33 142.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.38 -35.06 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG12 ' A' ' 40' ' ' VAL . 28.5 m-20 -61.16 151.41 31.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -156.7 176.28 12.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.85 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 40.8 tt0 -153.3 132.23 6.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 20.1 Cg_exo -65.58 153.67 77.17 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.32 2.013 . . . . 0.0 112.02 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -124.48 136.74 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -128.46 -27.5 2.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.4 -9.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.265 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 48' ' ' ALA . 4.7 p-10 -79.45 137.83 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.4 p -128.97 170.3 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -109.1 150.89 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -140.1 134.5 31.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.965 0.412 . . . . 0.0 111.046 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.42 162.31 41.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.52 129.4 55.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 111.628 -179.434 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.56 144.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.635 179.636 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -91.7 143.48 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 53.1 tp -146.32 113.85 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 57.37 31.04 19.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.113 -179.803 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.26 36.27 18.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.729 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.14 114.78 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.841 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.42 124.8 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 13' ' ' ALA . 27.8 m -134.73 149.64 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.22 125.29 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.55 135.72 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.725 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.11 115.34 25.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.034 -179.681 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 31' ' ' THR . 68.3 mt -99.67 136.72 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -124.99 100.36 6.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.65 124.95 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 p -95.69 169.21 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.29 -163.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.779 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.43 90.95 0.06 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.353 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.586 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 38.4 mt -76.56 3.48 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.258 -179.76 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' HA ' HH21 ' A' ' 79' ' ' ARG . 41.9 tt0 -59.69 -25.91 65.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.07 -29.09 70.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -97.38 153.19 18.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.882 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.404 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.43 9.92 0.74 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.26 -16.4 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 93.2 mtt180 -49.96 -27.94 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.79 -179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.26 -32.31 64.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.521 -179.489 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.89 -45.95 89.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.536 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -63.34 -52.42 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.863 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -62.55 -32.58 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 111.404 -179.466 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -79.61 -1.41 37.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.4 -179.655 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.6 t -102.86 9.06 39.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.036 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.521 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.6 173.82 24.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.599 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.42 -29.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.702 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -105.31 155.77 16.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.54 133.25 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.707 0.289 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.809 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -126.2 101.98 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.023 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -83.45 126.36 32.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.0 t -130.12 143.77 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.529 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -153.07 156.96 39.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.397 178.549 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.405 ' OG ' HG13 ' A' ' 25' ' ' VAL . 69.4 m -96.76 149.62 21.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.057 0.456 . . . . 0.0 111.302 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' A' ' 129' ' ' LYS . 15.6 pt -78.53 -36.01 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 p -71.85 -4.4 27.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.63 97.51 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.83 -18.05 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.58 -26.53 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 30.0 m -67.39 -54.25 22.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.467 -179.322 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.82 -34.82 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.1 p -71.82 -53.32 13.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.713 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.2 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.5 p -66.46 -30.51 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.045 0.45 . . . . 0.0 110.664 179.295 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 108' ' ' ARG . . . -55.26 -54.55 42.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.172 -179.156 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.65 -43.6 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.647 0.26 . . . . 0.0 111.106 -179.631 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.3 -32.5 62.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.017 179.646 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 105' ' ' ALA . 3.2 tmt_? -57.87 -45.89 85.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.338 179.664 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.44 -33.41 71.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.471 ' O ' HG22 ' A' ' 114' ' ' VAL . 88.8 mt-30 -62.01 -28.2 69.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 114' ' ' VAL . 96.3 mt -64.12 -44.95 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 111.259 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.0 mt -67.07 -25.3 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.542 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.555 ' HG3' ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -65.05 -43.23 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.36 0.6 . . . . 0.0 110.608 -179.179 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.555 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -84.36 -13.55 11.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.963 -179.233 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -127.04 35.1 4.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.89 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.99 -26.62 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -99.31 131.0 45.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.3 -60.69 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.592 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 4.1 mptp? -75.92 98.59 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.3 mm -102.02 104.59 37.09 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.738 179.823 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.8 Cg_endo -62.64 116.59 3.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.318 2.012 . . . . 0.0 112.234 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.09 152.0 47.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.527 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.485 HD23 HG23 ' A' ' 168' ' ' VAL . 12.5 tp -153.73 119.99 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.675 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.6 p -97.24 140.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.502 -179.191 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.528 HG21 ' HB ' ' A' ' 168' ' ' VAL . 37.4 t -146.5 146.54 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.042 179.857 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.19 115.48 3.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.116 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.98 -166.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.613 ' HB3' HG12 ' A' ' 95' ' ' ILE . 1.1 tppp? 68.09 11.39 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.5 t -58.73 -13.36 5.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.33 -13.11 6.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.017 0.437 . . . . 0.0 110.516 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 135' ' ' ARG . 22.9 mt -120.66 86.62 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.616 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.461 ' HG2' HH22 ' A' ' 136' ' ' ARG . 36.1 mt-10 -72.78 -29.04 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.206 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.32 -23.23 37.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.365 -179.57 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.5 mtt180 -101.27 12.11 38.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.269 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.511 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.8 ttm105 -76.41 108.04 9.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 0.0 110.322 179.507 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -83.7 -31.86 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.612 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -97.89 108.33 45.57 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.497 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.78 133.81 53.37 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.226 1.951 . . . . 0.0 111.409 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.7 p -52.0 -46.28 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.57 -48.71 74.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.129 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.51 -31.47 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.85 64.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.3 mtt180 -77.0 -39.23 51.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.185 -179.779 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.5 t -63.83 -41.1 97.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -46.76 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.675 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.29 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.92 -179.464 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.49 -32.35 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -52.41 -38.69 59.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -67.43 -26.77 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.19 28.02 4.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.66 175.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.663 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.49 128.37 55.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.707 179.031 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG22 ' A' ' 125' ' ' VAL . 38.0 t80 -95.68 142.85 27.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.211 0.529 . . . . 0.0 111.798 -179.188 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.15 150.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.78 144.21 26.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.6 p -150.38 173.26 14.21 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.535 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.4 p -136.71 110.79 8.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.31 6.58 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.521 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -99.75 -47.33 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.81 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.9 p -92.46 -0.7 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 35.25 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.763 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.05 -55.2 5.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.649 -179.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.7 p30 -111.11 23.54 13.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.933 -179.452 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 168' ' ' VAL . 3.9 p -68.68 -37.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.99 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.16 -14.97 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 46.5 tptt -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.747 -179.393 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.809 HG21 HD21 ' A' ' 90' ' ' LEU . 14.4 p -81.61 -29.23 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.102 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -73.78 -46.76 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -68.89 -43.48 75.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.216 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.8 -52.69 64.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.49 -32.63 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.3 ttm -59.05 -42.77 91.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.73 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.47 -39.94 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.19 -47.15 87.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.669 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.502 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 77.0 mt -58.38 -32.57 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.434 HH11 HD23 ' A' ' 57' ' ' LEU . 82.9 mtp180 -73.7 -53.33 10.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.606 -179.614 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -88.05 -58.81 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -178.631 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -61.84 -54.55 40.63 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.651 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 13.6 tmtt? -60.45 -44.72 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.818 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.2 mmt -75.64 -12.91 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.647 0.261 . . . . 0.0 111.564 -179.317 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.8 t -68.73 -60.95 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.592 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.9 mt-10 57.3 20.84 6.15 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.443 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -151.2 -52.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 57.3 tptt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.869 -179.894 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.442 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 162.09 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.755 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -128.46 114.99 17.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.231 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -116.0 142.74 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.367 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 62.9 mttp -119.66 103.18 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.493 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -95.47 124.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.669 179.616 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mm -108.11 126.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.578 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.2 mmm -78.05 90.7 4.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.398 179.397 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -95.44 156.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -171.22 -160.22 19.25 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 -179.819 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 104' ' ' THR . 77.4 p -62.04 -48.57 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.543 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.79 31.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.409 -179.885 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.67 37.39 0.02 OUTLIER Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.726 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 93' ' ' PHE . 7.0 t -94.67 -57.97 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.639 0.257 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.98 41.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -49.93 -35.72 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.248 0.547 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.2 p -82.3 -28.44 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.17 -52.88 63.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.507 -178.431 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -64.88 -24.82 67.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.369 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 28' ' ' SER . 95.6 m -69.27 -44.17 72.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.552 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.96 -33.14 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.361 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.5 mm100 -73.09 -29.53 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.4 -179.706 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.88 -48.08 40.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.9 ttm -82.21 -49.7 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.507 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.19 -22.23 27.08 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.271 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.4 m-20 56.95 27.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.493 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.3 150.4 45.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.26 -179.525 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 78.7 t80 -99.87 105.59 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.34 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.12 143.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.551 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.34 104.0 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.779 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -148.37 146.72 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -132.1 102.41 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -109.84 108.73 59.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.38 147.3 57.53 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.369 2.046 . . . . 0.0 112.326 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -74.34 97.18 2.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.693 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -90.74 31.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.754 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.18 13.65 8.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.267 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.1 128.59 42.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -108.89 156.54 19.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 -179.724 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -97.1 153.42 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -150.14 134.03 16.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -153.96 137.85 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.768 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -79.11 121.25 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.85 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -128.84 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.62 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.0 p -83.92 143.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HG2' ' A' ' 174' ' ' ARG . 64.3 tp -144.3 107.81 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 56.48 31.06 18.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.53 -29.68 11.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.532 ' HB3' HH12 ' A' ' 177' ' ' ARG . 10.0 tp10 -93.7 113.65 25.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.6 tt0 -83.57 116.94 22.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.4 147.73 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.45 140.39 32.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.61 137.21 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.018 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 17.0 t70 -117.54 114.22 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.23 133.97 57.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.317 -179.584 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -144.76 114.38 7.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.635 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.2 157.98 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.8 p -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.02 -174.75 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.64 118.85 4.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.394 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 79' ' ' ARG . 5.9 mp -88.06 -68.38 0.76 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 66.31 -77.89 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.196 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.2 -23.53 55.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.0 81.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.23 -16.59 58.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -51.24 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.812 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 57.2 mt -54.71 -34.33 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.735 -179.444 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' HB3' HD22 ' A' ' 72' ' ' LEU . 9.4 ptp180 -58.04 -37.09 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -57.62 -34.57 69.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.463 -179.685 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -69.32 -48.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.43 -20.59 46.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.311 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -79.93 -32.98 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.6 t -82.55 -3.22 55.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.26 153.79 16.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.582 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.47 -54.23 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.679 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.15 160.93 25.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.498 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -136.28 140.72 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -130.77 104.03 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.0 tp -82.46 129.23 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.795 -179.748 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.36 133.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.727 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.593 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.4 p90 -138.22 160.3 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.478 178.786 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.487 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.3 m -98.73 129.2 45.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 111.175 -179.621 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.469 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.9 pt -62.73 -33.17 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.525 HG21 HD12 ' A' ' 132' ' ' LEU . 72.9 p -70.28 -21.04 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.295 179.351 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -114.37 92.2 3.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.549 179.613 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.19 -15.84 49.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.01 -26.7 61.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.43 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 20.1 m -73.34 -46.96 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.0 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -50.92 -43.59 59.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.377 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.4 -54.05 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -179.13 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -39.68 73.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.64 ' HB ' HD21 ' A' ' 91' ' ' LEU . 18.3 p -61.18 -31.43 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.56 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.62 81.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.292 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 0.7 OUTLIER -66.46 -41.15 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.56 -25.64 66.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -51.87 -49.32 63.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.08 -36.99 72.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 9.2 mm-40 -60.06 -33.3 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.99 -37.32 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.212 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.53 -25.57 65.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.699 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 63.5 mtp180 -50.42 -50.54 51.69 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.741 -179.413 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -71.65 -41.03 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.766 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -94.3 39.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.828 -179.82 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.38 -21.85 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -97.52 -13.9 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.959 -179.79 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.4 tp10 -96.8 149.5 21.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -99.93 -52.52 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.525 ' HZ1' ' HB3' ' A' ' 185' ' ' LYS . 45.4 mmtm -74.39 108.78 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.8 mm -116.29 103.44 53.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.679 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.8 Cg_endo -69.99 119.92 6.77 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.335 2.023 . . . . 0.0 112.176 179.829 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -138.75 162.42 34.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 -179.791 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 39.2 tp -167.14 118.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.576 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -93.27 141.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.396 -179.437 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 168' ' ' VAL . 42.1 t -143.43 143.19 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.929 -179.572 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.27 121.53 5.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.327 179.855 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -91.72 -166.11 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.795 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.4 mmtt 61.69 14.64 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.369 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -59.8 -15.14 18.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.91 -8.92 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.454 179.516 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 96' ' ' THR . 42.2 mt -119.92 83.8 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.453 ' HG2' HH22 ' A' ' 136' ' ' ARG . 45.7 mt-10 -72.86 -36.05 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.58 -9.71 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.474 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HD3' HD13 ' A' ' 132' ' ' LEU . 73.5 mtp180 -114.16 -2.81 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.299 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.7 ttm180 -65.25 108.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -82.36 -33.46 28.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.421 -179.516 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.43 112.07 64.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.277 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 132.92 44.82 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.076 1.851 . . . . 0.0 111.549 179.249 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -53.34 -43.32 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.102 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.0 -47.73 80.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.99 -38.59 91.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.83 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.287 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.5 mtt180 -63.44 -51.76 64.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.362 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -55.57 -42.61 74.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -63.29 -48.56 77.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -57.09 -47.94 79.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.545 -179.323 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.86 -31.79 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.69 -48.79 63.35 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.767 0.318 . . . . 0.0 111.02 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -72.23 -16.57 61.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.95 19.08 18.2 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 -179.628 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.41 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.5 m -119.02 175.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.065 0.46 . . . . 0.0 111.374 -179.677 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -119.72 130.81 55.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.735 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.576 ' HD1' HG22 ' A' ' 125' ' ' VAL . 37.1 t80 -94.8 135.77 35.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.062 0.458 . . . . 0.0 111.188 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.2 153.8 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -89.78 142.69 27.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.475 179.556 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 164' ' ' ASN . 46.6 p -147.67 164.48 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.078 0.466 . . . . 0.0 111.518 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.5 m -140.3 111.43 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.313 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.73 -1.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.487 -179.686 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -99.3 -36.24 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.929 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.8 p -98.47 -5.72 31.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.51 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.21 39.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.424 0.452 . . . . 0.0 111.904 -179.986 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.19 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.202 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -111.5 7.0 20.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.046 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.2 p -61.47 -41.81 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.76 -21.6 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.081 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -70.14 -31.51 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.871 -179.234 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.1 m -74.3 -29.07 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.694 0.283 . . . . 0.0 111.528 -179.1 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.58 -45.61 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.44 -34.96 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.84 -53.36 58.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 54.4 tp -64.12 -33.94 76.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.6 ttm -56.75 -44.95 82.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.1 mtp180 -64.46 -34.28 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.787 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -71.52 -30.89 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.574 -179.586 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.3 mt -69.68 -45.08 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 111.28 -179.808 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.532 HH12 ' HB3' ' A' ' 60' ' ' GLU . 13.0 ptm180 -74.46 -29.33 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.715 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.0 m -87.98 -59.59 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 182' ' ' SER . 82.5 tttt -70.51 -54.15 13.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.788 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -54.6 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.461 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -58.86 -12.9 4.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.742 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 40.2 m -70.41 -60.66 2.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.009 179.696 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.9 21.68 6.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -61.98 -71.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.525 ' HB3' ' HZ1' ' A' ' 120' ' ' LYS . 23.3 tptm . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.27 33.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -129.04 106.62 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -104.16 152.42 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -116.78 145.71 43.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.67 124.32 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.247 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.47 106.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.612 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.2 tpt -67.75 98.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.637 -179.695 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.0 p -117.17 153.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 164.92 85.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.964 -179.788 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.6 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.76 0.314 . . . . 0.0 111.339 179.449 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.04 -63.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.283 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.21 70.01 0.21 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.101 179.693 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -114.8 -56.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.687 0.28 . . . . 0.0 111.316 -179.574 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.16 37.04 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.236 -179.84 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.612 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 30.2 mtmm -54.32 -39.76 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.771 0.319 . . . . 0.0 111.263 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 83.8 p -62.74 -29.91 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.62 -52.45 57.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.827 -179.074 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -58.52 -24.93 61.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.258 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 34.1 m -73.84 -45.28 52.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.735 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.0 -30.23 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -71.41 -36.11 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.758 -179.355 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.45 -31.23 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.187 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.8 ttm -82.25 -49.43 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.292 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -100.45 -10.65 20.9 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.136 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.2 m-20 55.34 32.07 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.571 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.35 155.48 42.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.573 -179.487 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 52.0 t80 -95.83 109.45 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -133.31 139.68 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -86.57 120.0 27.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -164.83 165.37 20.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -140.04 125.93 19.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -139.15 103.85 7.31 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.65 146.69 92.65 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.348 2.032 . . . . 0.0 112.429 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -77.91 119.58 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -129.35 62.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.8 15.26 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.327 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -105.74 129.66 53.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -119.21 164.23 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -94.57 156.05 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -146.02 137.22 24.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.143 0.496 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -166.67 167.92 14.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.524 179.435 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' HB2' ' HG3' ' A' ' 63' ' ' GLN . 1.7 ttpt -129.48 133.72 47.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.884 0.374 . . . . 0.0 110.987 -179.126 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.98 154.4 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -72.14 145.62 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.78 100.56 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.1 31.3 16.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.448 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.44 -35.1 4.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.171 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 8.3 tp10 -83.81 114.0 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.401 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -78.17 114.88 17.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.22 145.04 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 54' ' ' LYS . 57.6 mt-30 -85.43 169.78 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.89 136.15 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -125.63 114.58 18.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.78 138.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 111.648 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.3 tp -135.26 129.47 33.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.71 165.63 15.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.6 p -130.6 -17.06 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.24 -173.06 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.256 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.05 87.01 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 88.6 mt -59.53 -44.3 93.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 59.9 -84.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.45 -33.22 73.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.11 -179.689 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 66.6 m-85 -97.81 62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.81 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.0 53.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 75' ' ' TYR . 48.7 mt -83.57 -19.11 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -52.49 -45.92 66.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -55.03 -38.64 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.47 -38.71 78.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.498 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -70.43 -29.61 66.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -81.51 -16.29 52.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.247 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -80.03 -47.81 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.034 -179.762 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.0 m -75.41 -0.31 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.53 155.94 18.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.809 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -108.75 -41.48 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.534 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.36 153.85 17.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -129.82 136.33 49.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -133.71 107.68 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.517 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.767 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -83.02 137.15 34.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.033 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 126' ' ' VAL . 39.8 t -141.0 110.44 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.668 -179.821 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.2 p90 -118.72 152.22 36.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.706 0.289 . . . . 0.0 110.454 178.725 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 17.4 t -92.05 141.35 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.0 pt -77.35 -28.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 132' ' ' LEU . 77.8 p -73.94 -18.47 60.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.751 179.692 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -120.63 102.51 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.87 -16.39 58.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -26.92 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.807 -179.559 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 m -69.11 -53.88 17.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.259 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.52 -36.39 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.225 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.8 p -73.01 -53.85 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.012 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.04 79.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.767 ' HB ' HD21 ' A' ' 91' ' ' LEU . 11.3 p -59.32 -33.19 70.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.041 179.699 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.91 86.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.251 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 13.9 mm-40 -61.94 -48.35 80.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -55.07 -29.01 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.729 -179.45 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -53.03 -49.28 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.29 -26.92 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.404 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.6 mt-30 -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.322 -179.444 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.23 -41.29 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.54 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -25.79 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.018 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 5.1 mmp_? -50.59 -50.55 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.188 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.64 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.5 m -69.68 -29.52 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.787 -179.36 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.64 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.0 mmtt -109.06 39.25 2.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.43 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.749 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.42 -36.28 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 1.9 mp0 -72.81 163.16 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -114.13 -56.04 2.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 183' ' ' GLU . 13.5 mptt -72.06 111.5 7.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.713 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 36.7 mm -121.98 116.15 30.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.534 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.6 Cg_endo -75.57 123.65 7.72 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.34 2.027 . . . . 0.0 112.273 179.641 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -146.43 151.09 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.4 -179.769 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.4 tp -156.11 118.91 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.391 179.149 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.625 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -96.34 143.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.615 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 92' ' ' VAL . 3.1 p -144.73 159.65 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -128.58 111.24 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.051 179.66 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 94' ' ' SER . 28.3 p-10 -83.3 -165.64 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.506 -179.411 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' O ' HD11 ' A' ' 95' ' ' ILE . 29.8 mmtp 59.22 15.96 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -58.59 -19.54 39.32 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.72 -17.57 16.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.633 179.728 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.617 HD13 ' HD2' ' A' ' 135' ' ' ARG . 56.3 mt -108.14 86.01 2.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -72.6 -29.48 63.54 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.508 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.61 -22.2 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.517 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -99.19 5.8 46.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.7 ttm180 -78.6 109.27 12.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -92.47 -21.53 20.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.489 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 78.7 t -96.09 102.51 10.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.424 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 22.1 Cg_endo -61.33 128.6 25.44 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.137 1.891 . . . . 0.0 111.178 179.104 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -52.7 -43.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.75 -179.211 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 8.1 pt-20 -54.77 -41.45 70.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -179.494 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -75.33 -33.81 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.22 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.347 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 47.7 mtt180 -74.8 -43.01 56.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.4 t -57.53 -44.18 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.55 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.8 tmmm? -74.13 -47.96 32.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -54.49 -30.45 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.46 -31.79 72.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -50.93 -48.12 60.85 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.55 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.1 m0 -64.54 -24.31 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.673 179.69 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.63 15.34 15.46 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.253 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 123' ' ' LEU . 19.2 m -121.03 167.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.478 . . . . 0.0 112.111 -179.588 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -107.3 131.87 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.025 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.625 ' HD1' HG22 ' A' ' 125' ' ' VAL . 23.0 t80 -96.83 143.21 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.935 0.398 . . . . 0.0 111.145 -179.796 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.12 154.51 23.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -89.62 148.36 23.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.5 p -153.01 165.19 36.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.7 m -133.77 111.54 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.513 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.42 -1.87 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.015 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.35 -41.25 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 72.9 p -96.92 -4.27 40.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.971 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.89 38.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.161 179.99 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.19 -55.58 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.818 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -108.65 14.75 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.666 -179.388 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.545 HG23 HD12 ' A' ' 30' ' ' LEU . 7.7 p -64.56 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.833 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.15 -14.34 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.609 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -60.89 -38.8 86.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.365 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.89 -26.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.894 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.89 -48.49 24.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.364 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.74 -49.67 37.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.884 -179.558 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.01 -45.69 79.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.26 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 tp -69.32 -40.04 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.143 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.4 ttp -57.4 -39.98 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.5 -34.81 78.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.729 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -66.91 -25.95 66.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -179.834 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.6 mt -71.58 -54.19 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.8 ptm180 -65.45 -28.73 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.928 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 99.5 m -88.41 -60.46 1.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.157 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.0 tttp -71.81 -54.8 9.01 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.086 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.0 tttm -61.15 -48.06 83.36 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.372 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.4 mmt -63.0 -17.48 62.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.391 -179.499 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 73.0 m -93.4 -12.85 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 120' ' ' LYS . 30.4 tt0 -56.5 125.46 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 179.734 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.903 -179.964 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.41 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.74 138.9 48.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.6 tt -116.51 112.29 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.64 150.88 24.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.8 125.02 42.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.991 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.14 140.42 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.398 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.543 HD11 ' HA3' ' A' ' 86' ' ' GLY . 27.2 mm -103.95 109.18 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.954 179.708 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.622 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 3.4 tpt -65.52 92.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 179.762 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.5 p -102.14 161.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.335 -179.526 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.65 -156.63 19.41 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.268 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 25' ' ' VAL . 32.1 t -66.77 -62.07 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.397 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -34.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.326 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.37 43.97 1.17 Allowed Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 93' ' ' PHE . 73.2 t -93.88 -62.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.52 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.251 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 45.3 mtmt -52.72 -35.61 56.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.508 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.7 p -71.92 -30.03 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.96 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -52.47 65.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.726 -179.415 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -61.72 -25.0 67.16 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.211 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 28' ' ' SER . 57.3 m -71.91 -41.5 67.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.09 -45.45 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.74 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.6 mm100 -56.58 -35.23 67.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -72.92 -25.69 61.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.799 0.333 . . . . 0.0 111.173 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 tpp -82.05 -49.61 10.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.466 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.98 -8.27 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.082 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.92 29.78 19.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.608 -179.605 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -147.31 142.12 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.023 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -89.94 108.3 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -131.99 136.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.91 94.71 0.23 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -131.8 152.55 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -146.01 112.91 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.903 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.27 104.34 14.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 139.87 76.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.469 2.113 . . . . 0.0 112.41 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -96.88 129.3 44.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -114.72 -56.39 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.699 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -166.98 -6.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' H ' ' A' ' 48' ' ' ALA . 6.3 p-10 -80.96 135.79 35.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 m -112.08 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 29.1 m-85 -112.84 150.27 31.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.749 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.93 135.32 35.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -146.31 150.04 34.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.051 -179.474 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.87 126.47 44.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.05 150.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.17 134.0 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.7 tp -130.21 101.34 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.25 31.2 18.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.48 -35.46 5.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.565 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -87.73 114.23 24.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.84 116.83 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.68 148.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 81.8 mt-30 -81.18 141.51 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.796 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 tt -114.12 139.81 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.994 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 17.1 t70 -125.94 119.67 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.815 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 31' ' ' THR . 70.9 mt -114.01 126.47 71.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.21 116.41 24.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.66 125.51 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 p -100.78 -25.25 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.02 -169.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.66 103.2 3.0 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -73.17 -72.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HA ' HH21 ' A' ' 79' ' ' ARG . 46.6 mt-10 57.64 -179.81 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 62.79 9.77 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.18 166.67 16.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.92 -54.26 6.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.594 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.14 27.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.508 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.88 -17.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.493 HH21 ' HA ' ' A' ' 73' ' ' GLU . 93.1 mtt180 -54.94 -33.87 62.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.248 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.49 -38.67 63.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 -179.707 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.23 -34.95 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.377 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.281 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 114' ' ' VAL . 76.2 m-85 -74.54 -13.36 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -84.27 -6.75 59.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.327 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -101.62 11.73 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.543 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.47 -179.19 18.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.699 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -125.81 -40.73 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.14 162.86 21.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.701 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -136.43 132.19 35.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 168' ' ' VAL . 2.1 tt -123.94 105.9 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -82.89 134.3 35.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' A' ' 126' ' ' VAL . 94.7 t -139.78 139.4 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 111.899 -179.926 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.3 p90 -149.02 163.51 37.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -101.49 144.05 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 179.656 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 129' ' ' LYS . 29.0 pt -75.69 -32.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.751 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 39.5 p -70.53 -13.57 62.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.793 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -124.62 98.17 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.89 -16.23 58.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.91 -26.04 62.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.227 0.537 . . . . 0.0 110.22 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.51 -53.85 20.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.759 -179.428 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.29 -35.07 67.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.0 p -72.54 -53.55 11.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.832 -179.622 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.27 80.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.3 p -58.04 -31.64 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.92 65.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -66.35 -44.1 84.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 179.662 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -62.86 -25.15 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -48.81 -45.96 41.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.46 -39.4 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.41 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 55.8 mt-30 -59.76 -27.38 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.078 0.466 . . . . 0.0 110.703 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.45 -45.34 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.72 -26.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.527 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 36.5 mtp180 -52.36 -50.63 61.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 83' ' ' PHE . 16.8 m -73.93 -41.79 53.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.752 -179.37 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -96.21 43.97 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.24 -179.665 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.48 -0.34 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -105.25 -36.94 7.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -82.39 143.78 30.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -80.69 -59.88 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -77.62 122.52 25.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.751 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.0 104.0 51.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.94 113.32 1.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.317 2.011 . . . . 0.0 112.298 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.9 tp -139.01 150.92 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 tp -157.46 120.14 3.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.646 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -88.24 140.43 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.413 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.513 HG11 HG11 ' A' ' 168' ' ' VAL . 60.7 t -141.79 147.82 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.429 -179.511 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -131.42 114.35 1.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.063 179.794 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -90.51 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.626 0.251 . . . . 0.0 110.546 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.574 ' HB3' HG12 ' A' ' 95' ' ' ILE . 12.0 tptm 65.92 9.77 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.39 -9.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.533 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.52 -5.85 12.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.967 0.413 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 135' ' ' ARG . 25.7 mt -124.37 88.26 2.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.97 -36.62 67.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.8 pt-20 -70.71 -20.79 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -179.645 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.564 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.6 mtt180 -105.61 4.55 30.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.24 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -75.73 108.35 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.465 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.07 -32.28 20.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.098 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.0 t -96.09 102.64 11.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.57 135.75 50.82 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.045 1.83 . . . . 0.0 111.287 179.338 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -50.04 -42.43 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.494 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.45 -47.06 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.686 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.031 -179.832 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.71 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.252 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtt180 -75.74 -35.46 60.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.231 -179.607 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -65.72 -51.64 57.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.401 -179.576 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -45.07 85.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.59 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.646 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.78 -179.543 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -51.98 -32.56 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.251 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -53.29 -42.38 66.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 110.806 179.606 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -67.28 -22.3 65.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.735 179.842 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.74 33.8 4.6 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.19 -176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.15 0.5 . . . . 0.0 111.463 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -125.43 133.77 52.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.477 178.858 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.565 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -95.12 139.02 32.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.081 0.467 . . . . 0.0 111.717 -178.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.14 154.16 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.91 146.98 24.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.044 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 37.2 p -148.46 167.21 25.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.204 0.526 . . . . 0.0 112.075 -179.026 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 p -149.02 109.44 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.386 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.17 1.34 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.519 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -98.4 -48.27 5.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.9 p -96.15 2.2 52.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.247 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? 33.2 45.63 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.004 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -55.94 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.963 -179.538 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -111.73 13.84 21.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.62 -179.398 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.7 p -60.79 -40.85 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.661 0.267 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.99 -30.84 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 179.434 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -55.08 -32.9 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.92 -179.355 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.2 m -74.88 -33.46 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.299 . . . . 0.0 111.678 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -75.41 -42.27 54.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.813 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -71.89 -39.15 69.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.86 -46.87 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.09 -32.55 73.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.7 ttm -57.33 -42.09 81.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.999 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.68 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 17.5 mm-40 -60.14 -52.59 64.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 59.6 mt -57.39 -31.95 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 1.4 mmp_? -70.44 -60.62 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.4 m -86.27 -59.12 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.562 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 57.0 tttp -57.81 -54.02 51.67 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.718 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 2.0 tmtp? -63.46 -49.99 71.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.578 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.3 mmt -71.33 -12.48 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.61 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.6 t -58.73 -61.23 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 0.0 110.509 179.652 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 51.59 93.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -64.91 171.78 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.476 179.789 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 59.0 tttp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.009 -179.88 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.417 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.853 0.359 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.91 171.17 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -138.51 103.43 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -104.37 121.03 42.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -102.91 111.39 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.243 -179.638 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.33 132.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.562 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.6 mm -104.86 115.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.545 -179.558 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -72.03 88.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.016 179.494 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -95.84 155.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.56 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.23 -159.41 21.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.121 -179.7 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 87.9 p -68.36 -42.17 79.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.82 32.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.477 -179.763 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.13 47.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' OG ' ' A' ' 22' ' ' SER . 22.7 t -106.29 -53.29 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 111.025 179.873 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.74 34.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 89.4 mttt -46.67 -44.2 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 94.0 p -74.07 -29.39 61.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.318 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.48 -52.44 65.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.936 -179.118 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.655 HD12 HG23 ' A' ' 165' ' ' VAL . 2.9 mm? -64.02 -25.28 68.05 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.206 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 91.5 m -68.75 -43.16 76.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.19 -35.86 71.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.678 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.2 mm100 -67.1 -29.7 69.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.079 -179.668 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.45 -50.46 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.945 -179.824 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttm -82.09 -50.04 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.165 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.06 -25.45 24.18 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.3 t70 57.96 33.37 23.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.183 0.516 . . . . 0.0 109.978 -179.32 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.55 131.57 17.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.68 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -75.43 106.66 7.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.65 154.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.599 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.17 -90.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 47.11 89.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 111.502 -179.864 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -110.82 152.18 26.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -156.63 131.82 5.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.6 128.74 17.6 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.505 2.137 . . . . 0.0 112.126 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 m -67.82 121.99 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.022 -179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -124.05 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.12 -11.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.47 129.08 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.113 -179.783 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 p -122.06 161.41 23.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -93.79 157.63 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -142.46 139.8 31.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.638 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -157.07 143.81 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.013 -179.829 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 98.0 mttt -103.31 118.67 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.92 146.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.1 p -72.72 139.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.793 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD11 ' HG2' ' A' ' 174' ' ' ARG . 60.7 tp -131.02 99.03 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 56.41 30.74 17.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.69 -39.81 2.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.791 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.23 115.67 28.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 tt0 -73.16 127.12 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.288 -179.82 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 161.35 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.79 179.509 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 20.5 mt-30 -97.61 157.23 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 tt -131.55 137.83 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -119.95 117.18 27.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG21 HG23 ' A' ' 31' ' ' THR . 67.3 mt -116.49 133.5 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.594 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.83 134.04 52.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 179.488 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -50.76 -39.65 52.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.454 HG23 ' HB3' ' A' ' 67' ' ' LEU . 74.9 p 48.99 94.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.826 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.44 168.66 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 179.707 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.12 90.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.438 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 75' ' ' TYR . 8.6 mp -57.98 -72.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.643 0.258 . . . . 0.0 110.539 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 57.48 14.31 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -135.37 -13.9 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' HB2' HD23 ' A' ' 72' ' ' LEU . 42.2 m-85 -134.69 93.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.05 -16.87 59.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.494 -179.832 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.0 -28.8 14.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.705 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.7 mt -81.17 -27.24 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 0.0 111.387 -179.8 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -58.84 -29.86 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.15 -31.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.65 -34.78 67.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.397 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -74.67 -35.54 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.7 -23.44 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.823 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -80.71 -29.72 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.0 m -85.33 -3.32 58.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -118.61 165.26 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.605 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -112.25 -52.85 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.39 159.23 33.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.524 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -137.83 133.04 33.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.6 mt -127.6 105.05 8.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 179.618 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.8 123.27 29.19 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.161 179.601 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 126' ' ' VAL . 39.4 t -126.75 130.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.939 -179.164 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -147.15 149.96 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.243 178.57 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -90.71 154.27 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.622 HG12 ' HB3' ' A' ' 129' ' ' LYS . 23.7 pt -78.34 -37.73 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.294 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.423 ' N ' HG13 ' A' ' 95' ' ' ILE . 40.4 p -65.26 -22.82 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.404 -179.773 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.25 95.25 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.22 -16.15 59.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.405 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -73.32 -27.3 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -178.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 80.6 p -70.22 -53.46 16.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.17 -38.3 57.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 69.7 p -72.25 -53.61 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.806 -179.393 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.0 -39.56 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.62 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.6 p -57.94 -31.95 67.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.305 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.824 179.68 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.86 -44.34 90.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 179.801 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -58.84 -27.38 65.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -55.83 -44.35 77.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 179.637 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.93 -36.58 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.496 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 58.1 mm-40 -59.82 -28.66 67.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.049 0.452 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.19 -41.81 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.98 -26.45 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.954 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.3 mmm180 -50.52 -50.63 52.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.809 0.337 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' A' ' 115' ' ' LYS . 15.1 m -70.57 -21.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.545 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -110.63 45.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.614 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.54 -37.53 27.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.08 -39.23 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 63.45 141.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.621 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' ' 120' ' ' LYS . 23.0 t70 -172.11 -60.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 179.847 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 73.1 mmtt -145.41 93.85 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mm -99.85 103.8 24.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.434 -179.183 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 96.8 Cg_endo -81.59 123.41 4.28 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.377 2.051 . . . . 0.0 112.128 179.427 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 61.9 tp -142.45 160.42 40.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 111.332 -179.571 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 90' ' ' LEU . 52.5 tp -161.65 131.83 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.202 179.235 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.9 p -107.25 144.33 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 112.044 -178.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.524 ' HB ' HG11 ' A' ' 168' ' ' VAL . 3.5 p -139.58 152.01 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.7 104.34 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.817 179.549 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 157' ' ' THR . 28.1 p-10 -83.67 -167.4 1.7 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.261 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.622 ' HB3' HG12 ' A' ' 95' ' ' ILE . 35.4 tptt 67.27 9.52 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.404 ' HA ' HH21 ' A' ' 136' ' ' ARG . 46.8 t -59.66 -12.12 6.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.469 -179.468 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -12.8 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.594 179.715 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 35.9 mt -118.13 88.27 2.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.73 -32.19 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.355 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.22 -14.15 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 29.0 mtp180 -109.72 11.61 24.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.162 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.5 ttm105 -75.77 111.48 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 0.0 110.723 179.839 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -89.98 -20.31 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.18 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.01 99.49 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.355 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 18.4 Cg_endo -59.86 135.25 62.13 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.193 1.929 . . . . 0.0 111.373 179.078 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.56 -43.54 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.741 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.8 -49.4 71.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.499 -179.541 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.439 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 43.8 tt0 -68.28 -31.49 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.37 -28.89 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.449 -179.75 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.4 mtt180 -76.21 -38.34 56.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.0 t -64.09 -36.18 83.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.506 -179.332 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -45.7 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.878 -179.565 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.29 -39.44 94.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.6 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.73 -32.84 63.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -52.47 -46.03 66.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.02 -28.77 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.83 30.32 3.27 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.478 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.6 165.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.462 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -106.99 127.36 53.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.503 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.6 t80 -94.96 143.1 26.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.88 153.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.58 -179.744 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.84 138.69 31.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.287 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 164' ' ' ASN . 73.9 p -145.97 168.25 21.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.401 . . . . 0.0 111.444 -179.408 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -132.26 110.43 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.455 179.548 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.15 0.39 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.519 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -99.83 -41.89 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.2 p -91.22 -3.69 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 36.13 38.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.976 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.8 -56.04 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.869 -179.458 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.711 ' HB2' HG22 ' A' ' 157' ' ' THR . 62.9 m-20 -112.12 20.4 16.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.578 -179.45 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 30' ' ' LEU . 6.9 p -67.37 -40.48 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.627 0.251 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.65 -14.78 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.363 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 20.1 ttmm -59.54 -37.3 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.524 HG11 ' HB ' ' A' ' 126' ' ' VAL . 25.1 m -75.72 -26.77 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.418 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -74.01 -48.48 29.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.29 -40.67 67.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.753 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.37 -51.82 67.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.7 tp -67.92 -33.18 74.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.8 ttm -54.11 -51.48 64.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.819 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.418 ' HG2' HD11 ' A' ' 57' ' ' LEU . 99.5 mtt180 -65.12 -34.51 78.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.68 -31.06 71.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 80.9 mt -72.78 -55.12 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.388 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.28 -26.39 68.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.045 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.3 m -87.91 -59.79 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.304 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 81.5 tttt -71.21 -54.23 11.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.144 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 53.7 tptt -59.0 -55.68 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.0 mmt -63.04 -16.51 60.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.689 -179.344 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.0 t -61.76 -61.09 2.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.671 0.272 . . . . 0.0 110.974 -179.763 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.55 17.43 3.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -83.13 123.36 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.952 -179.853 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 159.5 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.2 tt -136.26 119.61 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 -179.899 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -107.87 151.97 25.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 54.3 mttp -129.81 110.27 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.539 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 66' ' ' ILE . 7.6 p -104.49 126.88 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.602 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -108.44 114.63 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.253 -179.834 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.59 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 91.3 mmm -65.95 91.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.6 p -100.72 166.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -179.731 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.1 -151.96 10.73 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 104' ' ' THR . 58.9 p -72.64 -37.37 68.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.105 0.479 . . . . 0.0 110.474 179.812 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.48 -28.0 3.18 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.034 -179.724 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.87 74.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.299 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.4 t -134.94 -48.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.739 0.304 . . . . 0.0 111.256 -179.695 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.51 44.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.759 179.971 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 16.9 ptpt -55.01 -25.17 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 179.769 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -82.75 -29.39 29.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.3 -52.2 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.025 -178.693 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -62.54 -24.7 67.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.315 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 28' ' ' SER . 51.2 m -70.61 -45.67 64.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -70.08 -29.43 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.66 -179.25 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HB2' HG11 ' A' ' 165' ' ' VAL . 12.7 mm100 -74.84 -37.94 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.03 -40.56 65.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.549 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 68.4 mtp -82.23 -50.06 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -178.332 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -103.04 -24.41 13.63 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.8 m-20 62.3 35.54 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.061 -179.132 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.85 131.39 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.603 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.51 111.71 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 42' ' ' ASP . 18.9 t -125.84 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.8 -23.07 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.295 -179.674 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.701 ' H ' HG12 ' A' ' 40' ' ' VAL . 20.4 t70 -66.03 156.59 33.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.278 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -157.81 149.52 21.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 42.9 mt-10 -128.39 147.18 62.78 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 8.0 Cg_exo -72.12 157.96 53.1 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.772 2.315 . . . . 0.0 112.191 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 48' ' ' ALA . 62.4 m -83.11 110.88 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -88.36 35.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 46' ' ' THR . . . 64.15 11.83 6.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.261 -179.857 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.61 128.38 45.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.8 m -94.8 158.49 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 12.7 m-85 -100.14 142.59 31.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.3 179.727 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 37.0 ttm180 -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.208 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.2 164.9 37.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -93.01 124.72 37.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.81 150.16 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.317 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 36.3 t -97.16 143.64 12.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 tp -143.3 108.31 4.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 54.67 30.87 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.0 -39.36 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.598 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.33 115.92 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.9 tt0 -84.9 115.81 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.684 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.89 154.68 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.538 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt-30 -89.38 143.71 26.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 17.2 tt -113.82 145.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.605 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.6 t70 -129.18 121.23 27.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.975 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.401 HG12 HG13 ' A' ' 17' ' ' VAL . 97.8 mt -119.63 140.13 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -143.51 122.42 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.1 144.2 25.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.9 p -108.31 -40.56 5.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.97 -172.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.236 179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.07 98.3 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.445 179.801 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.602 HD12 ' HD3' ' A' ' 79' ' ' ARG . 97.4 mt -81.36 11.06 4.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 62.84 6.15 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 179.709 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 64.06 132.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 111.667 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.405 ' HB3' ' H ' ' A' ' 76' ' ' ALA . 40.2 m-85 -146.64 -162.36 1.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.133 179.747 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' H ' ' HB3' ' A' ' 75' ' ' TYR . . . -53.59 -54.28 39.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.678 -179.605 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.3 23.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.309 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.7 mt -56.91 -23.63 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.602 ' HD3' HD12 ' A' ' 72' ' ' LEU . 32.2 mmt180 -60.26 -48.13 83.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.697 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.25 -35.0 77.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.35 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.61 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 4.4 m-20 -54.43 -35.94 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.547 -179.649 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -76.84 -38.48 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.274 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' HB2' HG11 ' A' ' 114' ' ' VAL . 38.7 m-85 -67.33 -19.76 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 79.8 mtm180 -72.56 -38.95 67.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.707 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.0 p -77.77 2.07 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.67 166.76 12.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 179.774 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.591 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 18.1 mm-40 -113.44 -69.98 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.571 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.75 158.56 32.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -124.7 143.02 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -126.94 104.69 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.581 HD11 ' HB ' ' A' ' 104' ' ' THR . 16.6 tp -82.46 127.61 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.735 -179.836 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.85 140.8 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.757 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.709 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.4 p90 -146.26 171.76 14.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.636 179.206 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 68.1 m -105.12 129.68 53.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 pt -63.55 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.7 t -86.15 -14.17 44.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 11.9 mm-40 -113.51 94.09 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -62.74 -16.76 59.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.55 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 m -75.64 -53.64 8.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.6 -179.125 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -52.35 -32.93 40.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -179.461 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.84 -54.53 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.721 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.87 -36.68 84.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.043 -179.552 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -53.02 -37.94 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.131 0.491 . . . . 0.0 110.53 179.56 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.95 -30.84 61.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.649 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.97 -30.72 67.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.44 -24.64 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.696 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' ILE . 31.9 mtp-105 -49.64 -37.4 28.12 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.865 0.365 . . . . 0.0 111.032 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.2 -36.9 82.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -71.02 -26.82 63.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 110.307 179.603 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' ARG . 91.9 mt -69.81 -37.39 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.07 -26.25 65.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -50.73 -51.59 48.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.79 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -65.35 -33.98 67.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.638 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -109.96 57.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.142 179.203 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.79 -41.31 32.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.589 -179.487 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.48 -48.18 74.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.916 0.388 . . . . 0.0 110.456 179.438 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 121' ' ' ILE . 38.9 tt0 54.92 97.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.665 179.665 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.21 -45.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.009 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.494 ' HG3' ' H ' ' A' ' 183' ' ' GLU . 72.4 mmtt -148.16 77.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.129 179.394 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 118' ' ' GLU . 16.7 mm -81.39 108.45 10.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.798 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 87.0 Cg_endo -83.49 104.05 1.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.039 . . . . 0.0 112.22 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 41.5 tp -116.39 163.1 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.661 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 29.9 tp -158.63 121.22 3.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.165 179.772 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.927 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -99.69 139.78 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.12 0.486 . . . . 0.0 111.634 -179.109 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.555 HG11 HG11 ' A' ' 168' ' ' VAL . 11.8 t -144.31 150.38 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.29 179.581 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.87 124.55 5.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.608 -179.755 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.44 -164.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.451 ' HB3' HD12 ' A' ' 132' ' ' LEU . 34.4 mmtp 56.07 20.35 4.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.79 -179.744 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.3 m -61.23 -17.06 51.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -79.52 12.94 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 129' ' ' LYS . 36.7 mt -123.48 79.28 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.99 -20.07 61.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.317 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -91.56 -38.89 12.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.228 -179.729 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.6 mtt180 -81.93 2.14 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.386 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.3 ttm180 -64.61 107.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -91.16 -32.85 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.075 179.473 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.71 111.79 63.77 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.433 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.01 124.71 14.43 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 121.891 1.728 . . . . 0.0 111.546 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.8 p -49.78 -40.03 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.763 -179.589 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.23 -47.54 76.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.824 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.99 -30.42 67.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.93 -28.6 64.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.773 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.1 mtt180 -73.75 -34.79 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.191 -179.757 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -65.58 -46.3 79.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.338 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.452 ' NZ ' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.09 -46.34 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.638 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.927 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.97 -48.83 75.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.903 -179.303 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -50.95 -31.72 18.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.451 ' HG3' ' HE2' ' A' ' 146' ' ' LYS . 9.8 mm-40 -52.66 -42.06 64.37 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.628 0.251 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.452 ' NE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.6 m0 -71.62 9.49 0.84 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.7 75.02 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.623 179.726 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 150' ' ' TRP . 31.3 m -126.17 154.33 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.34 -179.915 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -95.35 128.73 42.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.801 178.951 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.603 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.1 t80 -95.11 128.32 41.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG13 ' A' ' 126' ' ' VAL . 7.4 p -121.94 154.35 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.539 -179.415 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.48 136.27 33.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 48.5 p -141.64 172.62 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.403 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 56.4 m -148.63 110.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.375 179.729 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.447 -179.6 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -99.26 -38.96 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 47.7 p -97.5 -4.12 38.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.569 -179.641 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.407 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 2.6 ppt_? 35.04 39.26 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.496 0.498 . . . . 0.0 111.866 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.12 4.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.211 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -112.03 10.02 20.41 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.246 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 168' ' ' VAL . 59.8 t -64.44 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.31 -14.48 61.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 179.405 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -76.97 -30.74 56.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.835 -179.222 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -72.88 -30.06 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.532 -179.273 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.84 -44.77 47.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -71.74 -30.52 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.259 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.54 -53.89 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.9 -32.06 73.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.692 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.16 -37.14 64.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.36 -37.0 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.72 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.688 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.521 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 62.5 mt -58.65 -32.27 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -73.53 -54.93 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.901 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.3 m -87.59 -59.33 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.679 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.4 tttp -57.44 -54.16 49.96 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.493 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.4 ttmm -64.38 -51.84 61.25 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.738 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 56.0 mtt -64.63 -13.46 53.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.674 -179.258 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 5.6 m -66.55 -61.13 2.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.701 0.286 . . . . 0.0 110.744 179.65 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 183' ' ' GLU . . . . . 0.494 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 42.9 mt-10 60.39 109.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.351 179.74 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -76.96 -11.36 59.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.676 179.798 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.427 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.59 171.72 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.233 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -139.51 106.58 5.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -105.64 152.68 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 94.3 mttt -127.89 131.49 49.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.57 132.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.375 . . . . 0.0 111.279 179.726 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -110.77 112.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 97.4 mmm -67.81 95.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.752 179.671 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.3 p -101.29 159.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.705 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -175.4 -160.54 23.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.699 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 26.1 t -61.1 -46.19 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.17 -6.31 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.382 -179.72 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.77 54.52 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.216 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 93' ' ' PHE . 52.5 t -114.6 -35.53 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.623 0.249 . . . . 0.0 111.4 -179.669 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.21 50.71 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.745 179.715 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.58 -35.6 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.109 0.481 . . . . 0.0 110.638 179.864 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.525 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -67.29 -29.05 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.137 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.15 -52.57 64.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.203 -178.893 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -62.13 -25.06 67.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.0 m -68.88 -48.58 63.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.565 -179.563 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.94 -30.73 67.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.622 -179.599 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' NE2' ' HB3' ' A' ' 162' ' ' ARG . 15.4 mm100 -71.93 -31.69 66.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.92 -39.22 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 179.717 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -82.59 -49.76 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.271 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 -26.3 12.23 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.137 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.63 30.7 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.084 0.469 . . . . 0.0 110.193 -179.325 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -134.89 127.45 30.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.379 -179.65 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.47 116.84 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.77 139.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.867 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.95 97.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -166.36 126.86 1.68 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -152.73 147.89 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -127.02 147.51 61.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.963 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_exo -58.12 150.59 64.42 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.572 2.181 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.1 m -94.79 104.73 16.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -102.87 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.783 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.38 3.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 48' ' ' ALA . 15.1 m-20 -76.19 127.84 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -111.62 162.12 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 45.7 m-85 -109.37 138.18 46.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.679 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -137.29 142.97 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -163.61 136.78 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -80.33 121.29 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.211 -179.749 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -137.27 138.07 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.7 p -81.87 144.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 111.329 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 HH11 ' A' ' 177' ' ' ARG . 55.6 tp -137.15 108.06 6.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.629 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 56.37 30.92 17.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.35 -36.89 3.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.436 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -85.92 116.31 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 34.6 tt0 -82.77 132.88 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -179.809 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.4 153.68 22.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 179.746 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -91.63 129.51 37.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 tt -105.54 137.45 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.8 t70 -121.98 113.6 19.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.395 179.621 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.28 140.7 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.659 -179.337 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -133.27 99.17 4.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.69 132.27 53.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 -179.978 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.6 p -125.0 126.09 44.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.88 -166.18 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.0 90.94 0.03 OUTLIER Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.254 179.757 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.7 -6.33 56.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 111.371 -179.617 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.75 78.97 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.63 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -168.12 -43.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.719 -179.79 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -72.37 166.95 21.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.8 -51.6 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.044 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.94 -3.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.67 -23.2 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 179.474 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -66.55 -46.14 77.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.781 179.426 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.44 -30.82 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 7.2 t30 -52.41 -37.34 56.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.319 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -73.08 -39.76 65.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.661 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.3 m-85 -63.48 -26.59 68.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.566 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 76.9 mtm180 -83.63 -11.63 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.476 -179.671 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -84.38 -12.65 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.138 -179.628 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.21 161.83 22.0 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 33.8 mt-10 -100.75 -37.85 8.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.711 179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.631 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -95.23 157.5 22.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.298 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -132.09 142.92 49.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -134.1 105.88 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.744 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.88 134.79 35.07 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.43 139.61 41.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.497 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HA ' HG21 ' A' ' 25' ' ' VAL . 13.3 p90 -147.99 145.02 28.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.775 179.166 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HG13 ' A' ' 25' ' ' VAL . 28.7 t -83.01 145.19 29.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 23.9 pt -78.06 -33.81 18.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.658 179.623 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 22.7 p -66.55 -17.63 64.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.419 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -119.34 100.46 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -63.03 -17.02 61.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.921 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.0 -26.27 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 110.489 -179.619 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 35.1 m -66.24 -53.94 31.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.277 -179.503 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -56.57 -39.58 73.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.519 -179.806 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.7 p -72.65 -53.46 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -179.296 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.13 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.282 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.658 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.0 p -54.65 -31.05 56.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.496 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.03 80.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.027 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.5 -42.86 97.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.707 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.96 -27.74 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.327 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -48.66 -49.44 37.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.68 -40.33 73.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -58.13 -28.72 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.81 -26.53 66.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.38 -179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -60.46 -50.44 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.565 -179.611 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 83' ' ' PHE . 4.4 m -68.87 -17.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.65 -179.565 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.8 mmtt -125.07 38.69 4.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.788 179.811 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.62 -20.0 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.6 mm-40 -95.94 142.45 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.77 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.38 -64.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.757 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.7 111.22 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mm -113.21 106.67 54.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.631 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 45.0 Cg_endo -67.02 111.99 2.37 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 0.0 112.221 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.1 tp -127.69 152.51 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.446 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.6 tp -154.54 116.87 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.129 179.581 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.654 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -92.82 138.24 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.453 -179.244 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 168' ' ' VAL . 15.3 t -141.84 155.3 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -113.83 136.01 12.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.06 179.528 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -105.1 -179.38 3.93 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? 58.19 20.97 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -64.96 -8.21 14.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.29 -8.74 26.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.505 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.36 77.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -72.64 -20.06 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.4 pt-20 -82.24 -20.77 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.406 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 99.7 mtt180 -107.57 1.8 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.487 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.3 ttm180 -64.93 108.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -83.47 -32.82 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.235 -179.586 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.63 108.26 26.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.02 125.36 15.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 121.986 1.79 . . . . 0.0 111.205 179.235 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.37 -42.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.546 -179.439 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.23 -49.24 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.387 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.54 -27.27 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.455 179.716 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.05 -28.76 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 66.5 mtm180 -77.31 -42.58 36.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.1 t -56.76 -47.62 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.374 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 1.5 tmmm? -66.57 -48.41 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.15 -38.4 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.564 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.69 -31.79 72.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.63 -39.53 50.65 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.828 0.346 . . . . 0.0 110.831 179.761 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.5 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 41.2 m0 -73.27 -27.88 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.56 18.17 8.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.088 -179.656 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.87 -175.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.074 0.464 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.87 129.79 51.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.281 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.654 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.8 t80 -94.82 143.43 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 111.25 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.49 155.03 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.15 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.29 147.16 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -150.49 149.75 30.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.985 0.421 . . . . 0.0 111.625 -179.508 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.9 m -115.79 110.03 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.46 179.609 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.83 -1.1 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.455 -179.815 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -96.52 -39.44 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.8 p -97.1 -6.1 35.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.499 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 6.4 ppt_? 34.83 39.2 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.863 -179.731 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -55.22 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.854 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -110.35 14.73 22.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.945 -179.005 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.61 -41.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.281 -179.806 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.44 -25.04 60.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.11 -31.49 68.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.72 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 126' ' ' VAL . 3.4 m -79.17 -29.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.672 0.272 . . . . 0.0 111.386 -179.567 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -73.06 -43.39 62.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.475 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.14 -41.01 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.735 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.84 -47.85 79.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 124' ' ' LEU . 58.0 tp -66.2 -34.96 79.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 52.4 ttm -57.54 -37.56 73.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.1 -34.71 76.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.12 -48.58 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.8 mt -57.89 -32.18 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.424 HH11 HD23 ' A' ' 57' ' ' LEU . 78.3 mtp180 -74.98 -50.82 15.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.945 -179.358 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.4 m -87.34 -58.9 2.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.488 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.75 -54.18 48.34 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.53 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.9 tttp -63.05 -56.03 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.44 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.49 -12.68 33.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 42.5 t -65.62 -60.94 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.736 0.303 . . . . 0.0 111.02 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 58.55 178.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.26 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 63.67 145.9 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.444 -179.912 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.941 179.84 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.9 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.32 148.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -123.51 111.96 16.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -111.81 136.05 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 179.862 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 99.7 mttt -109.39 115.34 29.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.6 130.16 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -110.55 131.84 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.649 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 90.8 mmm -78.22 82.12 4.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.557 179.588 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.1 p -85.37 158.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 176.48 -161.13 29.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.823 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 104' ' ' THR . 59.8 p -63.54 -45.08 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.22 -45.11 0.88 Allowed Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.059 -179.658 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.19 86.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.138 -0.554 . . . . 0.0 111.932 179.604 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' HA ' ' A' ' 93' ' ' PHE . 19.7 t -134.74 -59.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.35 -179.354 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.68 46.52 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.131 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -61.32 -45.09 95.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.52 -179.652 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 31' ' ' THR . 17.0 p -50.96 -29.45 12.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.283 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.76 -52.72 63.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.186 -179.028 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.02 -25.06 68.21 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.552 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 68' ' ' ASP . 43.9 m -70.2 -42.66 72.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.358 -179.83 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.3 -31.37 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.424 -179.729 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HB2' HG11 ' A' ' 165' ' ' VAL . 20.0 mm-40 -72.8 -27.82 62.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 111.382 -179.458 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -73.18 -47.78 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 0.0 111.31 179.716 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.5 tpp -82.14 -49.4 10.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.676 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -91.59 -29.93 16.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.231 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 59.36 36.89 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.219 0.533 . . . . 0.0 109.963 -179.074 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' C ' HE22 ' A' ' 33' ' ' GLN . 10.3 tp10 -148.45 128.49 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.294 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -77.87 112.37 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.2 p -145.23 148.66 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.18 8.42 2.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG22 ' A' ' 40' ' ' VAL . 17.6 t70 -67.01 150.45 49.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.786 179.894 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -150.83 151.26 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -134.97 116.52 12.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.44 147.61 56.58 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.249 1.966 . . . . 0.0 111.959 179.807 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 69' ' ' THR . 86.3 m -134.78 125.45 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.328 -179.791 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -116.02 -30.44 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.398 179.483 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.61 4.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.207 179.777 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' H ' ' H ' ' A' ' 48' ' ' ALA . 3.8 p30 -98.55 135.74 39.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 67' ' ' LEU . 24.4 t -128.08 176.77 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.244 -179.661 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -96.27 155.6 16.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -151.04 129.77 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.969 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -153.04 169.94 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' HE2' HE21 ' A' ' 63' ' ' GLN . 94.7 mttt -109.84 131.72 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.278 -179.813 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.8 m -139.47 138.56 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.645 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -83.74 144.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -133.21 94.99 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.24 30.58 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.91 -56.21 0.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.319 179.491 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -79.92 121.98 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 112.029 -179.155 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.6 tt0 -88.76 114.48 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.634 179.66 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.33 149.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.49 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.548 HE21 ' HE2' ' A' ' 54' ' ' LYS . 96.8 mt-30 -88.05 153.99 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.27 142.47 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.18 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.3 t70 -118.12 118.81 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 31' ' ' THR . 70.6 mt -109.94 111.31 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 111.642 -179.641 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 50' ' ' SER . 2.2 tm? -92.83 110.45 21.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.031 179.662 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HB3' HG21 ' A' ' 31' ' ' THR . 6.9 p-10 -94.65 -172.09 2.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.624 -179.178 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 46' ' ' THR . 92.4 m 63.63 101.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.14 -87.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.79 27.21 19.52 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.013 -179.611 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 63.0 mt -80.26 -1.06 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.527 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.85 5.01 38.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -107.17 -42.03 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 74.4 m-85 -70.38 127.64 33.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -179.742 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.41 -7.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.352 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 26.5 mt -68.85 -19.41 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 39.5 ptt180 -61.9 -31.52 71.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.925 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -50.21 -36.88 32.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -46.83 74.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.403 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.6 -28.22 41.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -86.76 9.18 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.06 155.45 21.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.599 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.8 -71.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -83.04 156.94 34.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.281 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -127.87 135.79 50.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.695 0.283 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.568 HD23 ' SD ' ' A' ' 19' ' ' MET . 24.7 tp -120.93 106.42 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 179.855 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.9 -179.605 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 126' ' ' VAL . 12.6 p -110.91 132.96 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' HA ' HG21 ' A' ' 25' ' ' VAL . 1.2 p90 -136.24 178.09 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 178.851 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.409 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -110.89 131.57 54.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 39.2 pt -69.67 -29.5 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.249 179.109 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.2 p -70.33 -15.76 62.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.624 179.283 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 44.1 mt-10 -124.63 96.65 4.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -61.77 -16.01 46.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.756 179.707 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 15.3 pt-20 -72.42 -26.38 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.659 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.0 m -68.34 -53.49 23.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.65 -179.428 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.69 -35.46 61.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.411 . . . . 0.0 111.715 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 p -72.02 -53.33 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.817 -179.182 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.44 -34.54 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.952 -179.779 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 12.3 p -58.81 -31.08 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 110.111 179.336 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.21 75.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.02 -43.87 91.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.443 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.76 -27.34 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -53.09 -45.47 68.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.85 -34.77 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.672 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -64.04 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.23 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.34 -40.23 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.58 -30.66 70.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.21 -49.63 59.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.267 -179.71 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 114' ' ' VAL . 3.3 m -66.73 -13.3 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.06 41.95 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.43 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.321 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.52 142.03 29.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -95.78 -51.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 0.9 OUTLIER -78.81 96.25 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.992 -179.86 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.96 109.05 42.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.554 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 56.4 Cg_endo -69.22 118.46 5.69 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.547 2.165 . . . . 0.0 112.885 -179.491 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.89 165.76 21.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.818 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 90' ' ' LEU . 29.2 tp -169.05 110.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.536 178.42 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.663 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -88.54 142.78 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.51 -178.804 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 92' ' ' VAL . 11.5 p -152.28 149.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.07 114.96 2.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.146 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -79.42 -162.55 0.42 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.787 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 73.1 mmtt 60.96 14.14 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.491 ' HA ' HH21 ' A' ' 136' ' ' ARG . 71.4 m -56.49 -15.14 3.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.427 -179.731 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.2 6.9 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.727 179.442 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.508 HD13 ' HD2' ' A' ' 135' ' ' ARG . 71.3 mt -128.71 77.94 1.81 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.507 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -73.15 -15.0 61.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.7 pt-20 -91.14 -10.6 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.086 -179.864 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -116.22 1.95 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.507 HH12 ' HG2' ' A' ' 133' ' ' GLU . 45.3 ttm105 -70.86 108.74 4.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 110.267 179.508 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -93.65 -27.23 16.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.483 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -94.84 109.18 42.52 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.453 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 133.26 50.34 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.154 1.903 . . . . 0.0 111.455 179.153 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -53.79 -47.87 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 140' ' ' VAL . 38.9 mt-10 -58.38 -48.3 81.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.66 0.267 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.42 -35.74 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.307 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.31 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.598 179.626 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 86.4 mtt180 -74.49 -37.73 63.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.864 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -60.6 -41.88 95.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.451 -179.419 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -48.35 20.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.0 -179.581 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.595 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -61.5 -30.44 70.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.38 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.53 -32.01 72.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 -179.458 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.52 -46.11 63.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 179.381 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -68.22 -23.04 64.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 179.453 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.97 12.29 24.33 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.28 170.14 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.321 0.581 . . . . 0.0 112.335 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.71 157.72 20.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.838 179.084 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.663 ' HD1' HG22 ' A' ' 125' ' ' VAL . 31.2 t80 -118.84 141.51 48.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.514 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.01 153.87 30.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.238 179.881 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -93.47 140.32 29.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 77.5 p -145.25 163.76 33.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.081 0.467 . . . . 0.0 111.745 -179.614 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.5 p -141.27 110.28 6.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.595 179.572 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -59.81 -21.15 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.496 -179.792 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.9 -55.65 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.603 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -89.6 0.61 56.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.484 -179.482 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.417 ' HA ' ' CG2' ' A' ' 165' ' ' VAL . 7.0 ppt_? 33.62 41.41 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.549 0.531 . . . . 0.0 111.944 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.22 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.193 -179.26 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 167' ' ' LYS . 2.9 m-20 -111.84 19.6 17.81 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.241 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 168' ' ' VAL . 90.9 t -66.76 -49.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.731 0.3 . . . . 0.0 110.683 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -71.68 -14.3 62.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -61.23 -39.3 89.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.218 -179.418 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.6 m -77.97 -26.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.63 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.73 -45.54 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.629 179.789 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.03 -39.51 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.028 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -53.51 56.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.168 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.16 -35.81 79.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.8 ttp -60.57 -41.25 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 -179.903 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -69.83 -34.61 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.541 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -62.34 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.439 HD11 ' HA3' ' A' ' 88' ' ' GLY . 90.2 mt -71.87 -52.41 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -58.16 -37.12 74.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.962 -179.292 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.3 m -88.07 -58.87 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.646 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 82.0 tttt -69.79 -54.31 14.22 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.643 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 22.2 ttpp -58.27 -41.83 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.593 0.235 . . . . 0.0 111.608 -178.976 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 40.8 mtt -76.51 -15.23 59.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -179.688 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t -67.52 -61.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.37 126.75 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.694 179.917 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.1 m120 62.13 168.82 0.12 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.292 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.076 179.992 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.41 172.81 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -139.33 102.83 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -104.38 152.33 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -179.808 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -125.81 128.98 48.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.871 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.02 132.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.7 mm -114.21 132.77 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 179.732 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mmt -85.15 93.19 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.03 179.64 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -101.88 160.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.587 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 162.96 -155.78 27.27 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.576 ' N ' HG22 ' A' ' 104' ' ' THR . 29.1 t -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.663 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.28 29.25 0.25 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.399 -179.855 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.52 80.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.617 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 1.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 111.291 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.91 44.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.688 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 32.3 mtmm -66.62 -56.82 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.8 p -58.05 -29.59 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.847 179.45 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.97 -52.95 61.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.7 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 92' ' ' VAL . 2.8 mt -59.03 -25.44 63.7 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.22 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.5 m -69.96 -58.03 4.33 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.342 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.72 -31.09 57.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.6 -179.282 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.501 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.9 mm100 -67.59 -43.5 80.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -73.01 -25.36 60.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 111.416 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 31' ' ' THR . 95.9 mmm -81.73 -49.33 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.18 -6.23 13.03 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.178 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.1 m-20 58.78 34.47 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.78 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -149.78 142.62 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -179.648 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -90.3 105.68 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.14 144.12 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.778 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.74 115.41 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.69 -60.58 1.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.1 t80 61.51 105.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.282 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.29 93.12 2.27 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.87 179.696 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.59 127.72 26.52 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.588 2.192 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -81.21 162.96 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -113.31 -44.84 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.23 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.41 133.08 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -111.62 176.92 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -102.06 125.76 48.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.86 131.04 54.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 179.47 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -142.67 136.48 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.59 120.25 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.9 m -132.09 159.78 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -94.75 139.97 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.3 tp -138.09 101.68 4.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 57.19 31.26 19.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.03 -25.05 29.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.6 114.16 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 111.106 -179.894 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.77 116.53 18.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.2 m -120.7 142.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.271 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -81.98 136.33 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.782 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -111.51 135.84 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -118.81 113.58 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG23 ' A' ' 31' ' ' THR . 36.8 mt -115.12 134.06 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.217 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.8 tp -136.19 137.4 40.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -89.61 114.67 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.2 p -87.8 -22.65 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -166.87 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.21 91.74 0.07 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.665 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 65.9 mt -75.48 -13.77 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.678 0.275 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.03 83.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 -179.809 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -173.48 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -75.74 158.81 31.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.98 -52.89 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.36 10.46 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.6 mt -77.12 -21.24 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 36.7 ptt180 -66.11 -27.03 67.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.67 -30.93 71.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.77 -40.86 56.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.305 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -64.22 -43.24 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -179.614 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.651 ' HB2' HG11 ' A' ' 114' ' ' VAL . 32.4 m-85 -65.28 -30.24 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.803 179.84 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -81.38 -21.92 38.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -85.6 6.37 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.84 172.77 21.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.47 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -118.02 -26.18 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.621 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -114.01 158.88 14.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.425 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -133.98 140.19 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.074 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 172' ' ' LEU . 10.5 mt -129.26 109.74 11.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.742 179.196 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.9 tp -82.13 126.3 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.993 179.811 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 30' ' ' LEU . 43.5 t -131.42 138.85 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.452 . . . . 0.0 112.17 -179.389 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 104' ' ' THR . 9.8 p90 -148.87 151.77 35.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.195 178.597 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 36.3 m -87.44 127.89 35.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 96' ' ' THR . 40.2 pt -60.95 -39.69 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.898 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 97' ' ' GLU . 6.0 t -71.37 -12.42 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 39.6 mt-10 -118.11 93.88 4.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.707 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.97 -16.21 58.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.207 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.62 -26.26 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.852 -179.338 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 104' ' ' THR . 17.6 m -74.45 -53.11 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.774 -178.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -48.85 -38.21 21.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 0.0 111.62 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.75 -53.61 11.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.999 -179.595 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -36.59 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.326 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 43.3 p -58.56 -34.49 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.063 0.459 . . . . 0.0 110.772 179.757 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.74 73.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.31 -179.674 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.27 -43.32 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.771 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -66.33 -25.85 67.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -54.14 -44.84 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.523 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.01 -34.45 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.754 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.456 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 78.9 mt-30 -60.82 -30.05 69.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.38 -45.77 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.94 -26.74 66.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.247 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 110' ' ' GLN . 70.5 mtp180 -64.75 -51.05 64.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.48 -179.767 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.651 HG11 ' HB2' ' A' ' 83' ' ' PHE . 1.4 m -62.44 -22.75 30.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 110.574 179.674 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -114.33 51.14 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.075 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.21 -40.37 16.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.092 -179.211 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.62 -46.57 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.35 121.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.141 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -148.8 -61.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.588 179.108 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.509 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mmtt -146.42 92.8 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.572 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mm -95.21 104.08 14.11 Favored Pre-proline 0 N--CA 1.463 0.188 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.63 -178.79 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.621 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 98.4 Cg_endo -80.74 122.52 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.208 1.939 . . . . 0.0 111.684 179.209 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.43 155.16 51.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -179.492 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -161.84 120.76 2.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.235 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.541 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.92 141.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.972 0.415 . . . . 0.0 111.136 -179.521 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.52 147.81 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.146 -179.499 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.16 128.72 8.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.876 179.568 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -101.92 -173.14 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.324 -179.702 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.493 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 11.6 mmmm 56.73 19.44 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.421 ' HA ' HH21 ' A' ' 136' ' ' ARG . 70.6 m -58.35 -16.31 14.03 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.327 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.28 -0.52 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 179.524 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' A' ' 135' ' ' ARG . 46.7 mt -121.22 69.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -64.64 -33.44 75.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.444 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.9 pt-20 -70.82 -17.06 62.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.2 mtt180 -106.4 -4.82 19.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.458 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -63.29 108.37 1.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.747 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -96.91 -21.6 17.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.374 -179.324 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 79.9 t -101.83 98.52 9.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 9.3 Cg_endo -52.54 153.17 14.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.358 2.039 . . . . 0.0 112.044 179.682 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 90.2 t -62.37 -54.25 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.477 -179.497 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.32 -44.18 71.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.791 -179.041 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -66.9 -35.66 80.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.903 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 138' ' ' VAL . . . -73.97 -30.57 62.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.7 mtt180 -78.26 -35.12 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -51.34 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.74 97.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.716 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.34 -36.97 77.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.48 -179.694 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.83 -32.5 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.806 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -51.4 -42.21 61.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -69.41 -27.15 65.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 179.618 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.02 32.91 2.71 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.816 179.613 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.1 170.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.07 0.462 . . . . 0.0 112.111 -179.715 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.47 135.05 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.663 178.888 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.541 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.8 t80 -98.61 143.29 29.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.185 0.517 . . . . 0.0 111.951 -179.055 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.02 152.07 20.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -89.51 143.78 26.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.5 p -150.64 153.41 35.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.989 0.423 . . . . 0.0 111.668 -179.427 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.0 m -124.0 109.82 14.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.46 -3.48 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.32 -179.818 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -93.84 -47.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -89.93 -3.87 57.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.501 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.4 ppt_? 36.45 36.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.048 179.864 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.13 -52.7 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.694 -179.469 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -111.65 16.32 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -179.346 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 166' ' ' ASP . 8.0 p -66.64 -43.25 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.946 179.79 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 166' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.0 -15.19 61.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.307 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -61.57 -45.78 92.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.373 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.32 -26.69 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.602 -179.333 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -69.04 -46.37 68.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.183 179.412 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.02 -30.55 65.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.34 -50.98 61.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.69 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.536 HD22 ' HG ' ' A' ' 90' ' ' LEU . 31.2 tp -63.71 -33.75 76.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.36 -44.06 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.118 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -70.05 -34.75 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.681 179.358 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.89 -44.75 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.453 -179.706 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 67.6 mt -72.71 -54.8 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.713 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -56.98 -30.38 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.929 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 75.6 m -87.94 -60.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -179.431 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 78.8 tttt -72.24 -55.12 7.74 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.36 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -57.23 -58.53 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.637 0.256 . . . . 0.0 111.668 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.9 mmt -57.63 -18.28 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.775 -179.302 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 36.8 t -65.71 -59.24 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.46 98.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.054 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -110.82 120.22 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.075 -179.935 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.49 158.59 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.431 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.8 tp -130.02 109.13 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -103.91 133.05 49.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.9 mttm -116.22 103.98 11.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.56 129.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.188 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -95.94 108.86 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.831 179.816 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.618 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.8 tpt -66.95 97.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.703 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.4 p -113.45 160.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 161.34 84.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.732 -179.805 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 104' ' ' THR . 28.3 t 61.1 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.887 0.375 . . . . 0.0 111.221 179.51 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.36 -36.45 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.69 58.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.268 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG22 ' OG ' ' A' ' 100' ' ' SER . 53.7 t -106.93 -55.12 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.33 36.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.056 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -50.59 -38.3 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.367 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 p -68.44 -30.39 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.33 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.99 -179.081 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.51 -25.49 68.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.064 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 22.1 m -74.2 -37.89 63.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.968 -179.353 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 99.4 mt -70.91 -49.0 50.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.474 -179.237 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -55.86 -41.24 74.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.377 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 tpp -81.52 -49.86 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.167 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -127.41 -10.47 5.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.561 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.05 73.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -169.82 134.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.597 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -91.39 105.88 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.112 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.1 t -138.86 149.62 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.879 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -90.43 97.57 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.746 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -170.84 143.2 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -157.43 168.1 28.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.74 144.22 28.98 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 147.61 76.43 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.358 2.039 . . . . 0.0 112.295 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 68' ' ' ASP . 43.8 m -102.27 107.27 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -106.73 -56.0 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.44 -1.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.89 138.2 40.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.635 179.69 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -129.75 148.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -179.751 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 70.2 m-85 -92.43 132.37 36.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.258 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -134.85 135.44 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.118 0.485 . . . . 0.0 111.551 -179.655 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.25 172.25 18.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.029 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -128.55 143.2 50.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.499 . . . . 0.0 111.954 -179.62 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.5 m -145.55 137.2 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.41 179.635 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.96 129.67 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.6 tp -137.06 120.17 16.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 55.87 30.67 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.69 56.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.708 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -146.04 113.82 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.17 122.36 26.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.28 177.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -119.01 123.0 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.31 142.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.7 t70 -134.74 116.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -179.663 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -99.76 131.16 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.336 179.514 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.5 tm? -142.06 139.78 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.439 -178.677 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.613 ' N ' HD13 ' A' ' 67' ' ' LEU . 28.2 t70 80.35 105.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.547 179.441 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -143.89 167.24 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.324 179.574 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.562 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . 61.92 172.02 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.554 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 132.97 35.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.972 179.487 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.6 mp -73.11 -31.53 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.479 0.181 . . . . 0.0 111.087 -179.532 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 63.46 115.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 59.09 95.74 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -153.36 105.83 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.411 -179.398 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.39 54.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 179.297 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.16 17.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.3 mt -66.98 -21.0 27.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.312 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -60.56 -46.06 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.263 -179.711 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.94 -34.07 58.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.28 -46.76 88.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.788 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -65.07 -44.7 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.627 -179.503 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -17.05 63.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -84.09 -17.99 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.2 m -102.86 11.39 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.474 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -120.18 175.14 15.85 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.518 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -115.9 -60.94 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.556 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.58 166.54 27.96 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.54 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -137.89 132.76 32.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.739 0.304 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 168' ' ' VAL . 1.2 tt -123.48 97.01 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.817 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.668 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.22 128.96 34.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.657 -179.619 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.81 138.52 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 111.831 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.508 ' HB3' HG21 ' A' ' 104' ' ' THR . 30.5 p90 -144.91 146.84 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.445 178.866 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.7 m -90.59 135.02 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.156 -179.683 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 34.5 pt -64.38 -29.75 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.679 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.472 HG21 HD12 ' A' ' 132' ' ' LEU . 35.4 p -73.08 -31.14 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.619 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.02 98.3 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.635 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.35 -21.76 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.036 -179.811 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 25' ' ' VAL . 31.5 m -67.63 -54.73 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.539 -178.976 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.53 -36.07 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.569 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.0 p -71.7 -53.39 13.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.01 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.46 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.034 -179.854 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.668 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.0 p -56.96 -35.97 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.636 179.477 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.077 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.27 -47.93 63.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.696 179.81 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.414 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.5 m-85 -58.9 -24.61 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.774 179.626 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -52.52 -48.3 66.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.76 -36.3 73.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.634 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.452 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -61.26 -34.11 74.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -62.58 -42.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.468 -179.696 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.22 -26.67 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.6 mmt180 -52.5 -51.19 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.875 -179.169 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.7 m -66.56 -40.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.655 -179.43 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -96.96 32.22 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.36 -18.19 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.04 -32.03 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.26 137.61 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.05 -60.57 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.01 120.18 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.5 mm -123.16 104.23 35.34 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.625 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 33.6 Cg_endo -64.8 104.42 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.354 2.036 . . . . 0.0 111.719 179.361 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -133.38 154.39 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 111.272 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -160.61 123.78 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.54 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 147' ' ' ALA . 7.3 p -102.26 143.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 111.5 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 168' ' ' VAL . 12.0 t -140.2 152.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.82 133.52 11.66 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.231 179.859 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -104.54 175.61 5.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HG3' HD12 ' A' ' 132' ' ' LEU . 0.1 OUTLIER 54.69 26.28 7.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.842 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -69.21 -1.99 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.583 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.97 19.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.545 HD13 ' HD3' ' A' ' 135' ' ' ARG . 55.3 mt -139.17 87.78 2.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.63 -34.98 67.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.451 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.5 pt-20 -78.22 -40.81 36.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.7 mtp180 -81.76 7.44 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 39.9 ttm180 -69.34 116.76 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -86.82 -33.99 19.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.419 179.704 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 83.6 t -114.15 114.66 45.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.752 179.572 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 78.2 Cg_exo -50.64 125.0 14.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.17 1.913 . . . . 0.0 111.789 179.652 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -49.45 -40.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.792 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.14 -41.34 88.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 98.0 mtt180 -66.28 -41.19 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -65.73 -47.95 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.772 -179.266 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -47.41 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.216 -179.419 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.16 -37.06 86.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.392 -179.611 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.97 -32.1 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.01 -48.32 64.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.749 179.641 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -58.88 -27.61 65.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.98 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.06 20.05 8.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.132 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -121.13 164.18 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 111.67 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -103.26 128.17 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.726 178.972 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.5 t80 -96.52 124.18 40.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 0.0 111.415 -179.212 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.31 155.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.324 -179.608 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.66 147.25 23.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -179.713 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.7 p -149.83 173.26 13.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.98 179.764 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.426 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 67.9 m -139.72 110.97 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.9 -3.68 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.646 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -99.48 -46.54 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 30.3 p -85.25 -9.65 57.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? 35.01 39.98 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.67 0.606 . . . . 0.0 112.022 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.48 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.788 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -111.78 16.27 20.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.532 -179.455 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -63.32 -39.26 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 179.74 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.31 -23.98 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 179.55 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.37 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.799 -179.303 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 126' ' ' VAL . 3.0 m -73.15 -32.26 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 111.298 -179.201 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -74.38 -41.6 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.654 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -72.04 -35.57 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.398 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.455 ' HA ' HH21 ' A' ' 174' ' ' ARG . 10.8 t70 -64.71 -44.76 89.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 110.706 -179.724 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 124' ' ' LEU . 62.3 tp -72.84 -33.83 66.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 173' ' ' MET . . . . . 0.438 ' HA ' HD12 ' A' ' 176' ' ' ILE . 47.7 ttm -56.51 -44.12 80.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.455 HH21 ' HA ' ' A' ' 171' ' ' ASP . 81.8 mtm180 -66.46 -34.89 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.819 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.22 -33.39 73.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 40.8 mt -70.6 -45.06 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.519 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.2 ptm180 -74.88 -33.13 62.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.1 m -89.28 -59.71 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.119 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.3 -54.48 12.45 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.378 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.625 ' HD2' ' HG3' ' A' ' 122' ' ' PRO . 61.5 tttm -62.4 -33.69 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.504 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 40.0 mtt -81.59 -12.62 58.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.498 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.6 p -67.94 -59.57 3.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.683 0.278 . . . . 0.0 110.759 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 53.22 88.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -72.88 -33.97 66.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 179.957 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.401 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.78 0.324 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.45 137.44 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 tp -111.77 102.55 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -104.98 136.66 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.0 122.13 45.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.84 133.73 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.732 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.1 mm -112.57 130.11 66.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.753 0.311 . . . . 0.0 111.401 -179.792 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 95.8 mmm -78.85 90.57 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.253 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.2 p -94.8 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 179.799 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.68 -162.81 28.42 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -60.64 -51.39 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.787 180.0 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.65 31.3 0.24 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.255 -179.886 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.75 57.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.55 -179.834 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.61 -16.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.061 179.783 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.04 43.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.413 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.6 mttt -56.36 -30.54 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 31' ' ' THR . 76.1 p -75.23 -28.98 60.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -52.07 67.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.037 -178.768 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -61.24 -25.35 67.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.339 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.2 m -72.67 -42.21 64.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.636 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.28 -30.09 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.28 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.2 mm100 -76.56 -38.02 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -72.76 -41.78 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.755 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 35' ' ' MET . 71.4 mtp -81.75 -49.55 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.071 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -103.42 -20.34 14.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.082 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.8 t70 58.88 43.04 18.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.178 0.513 . . . . 0.0 110.053 -179.472 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.5 127.72 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.07 106.02 12.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.621 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.79 141.41 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.24 101.64 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.711 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -141.61 136.72 31.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.949 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -140.86 142.04 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.8 pt-20 -148.35 148.02 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.4 Cg_exo -60.1 145.35 98.64 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.565 2.177 . . . . 0.0 112.002 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -131.23 100.5 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -85.27 -58.46 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.949 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.08 4.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.99 130.96 36.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 p -113.19 171.82 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -103.46 149.77 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.863 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -141.4 131.54 24.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG22 ' A' ' 64' ' ' ILE . 20.0 ptmt -157.36 151.92 25.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.126 179.906 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 30.9 mmtm -105.03 135.61 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.183 -179.572 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.7 147.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.89 140.02 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.7 tp -141.79 103.36 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 55.73 31.26 17.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.739 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.3 -29.32 11.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.411 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -95.38 120.92 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -92.28 121.03 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.82 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.46 152.2 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.609 ' HG2' ' HD2' ' A' ' 54' ' ' LYS . 72.3 mt-30 -81.05 130.31 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.8 tt -116.77 145.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.651 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -133.01 127.29 33.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.06 142.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -135.42 119.27 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.14 150.29 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.9 m -142.08 -74.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.83 -171.07 1.28 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.42 110.04 2.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.936 179.449 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' A' ' 79' ' ' ARG . 57.0 mt -79.67 30.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.509 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -95.62 24.38 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.93 -47.29 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -64.63 148.51 50.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.59 -53.85 7.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.22 -179.819 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.11 -13.35 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 56.1 mt -63.3 -21.36 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.555 ' HA ' HD22 ' A' ' 72' ' ' LEU . 33.5 ptt180 -64.54 -42.17 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 179.702 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 9.8 m-20 -61.25 -30.81 70.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.431 . . . . 0.0 110.279 179.552 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.0 m-20 -53.05 -34.69 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -74.43 -47.79 31.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.539 -179.515 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.1 m-85 -63.35 -26.02 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -82.31 -10.86 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.111 -179.581 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.6 m -90.17 4.9 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.46 159.03 21.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.78 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -111.75 169.63 13.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.278 179.76 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 65.5 m-85 -133.85 146.5 50.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 111.187 -179.779 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 168' ' ' VAL . 0.8 OUTLIER -131.07 101.68 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.663 179.775 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' HB ' ' A' ' 104' ' ' THR . 12.1 tp -82.25 131.77 35.23 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.713 0.292 . . . . 0.0 110.753 -179.537 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.5 t -138.1 136.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.5 p90 -140.13 147.88 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.23 178.564 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -88.78 129.99 35.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.185 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.479 HD13 ' HE ' ' A' ' 136' ' ' ARG . 3.2 pt -65.89 -30.12 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.098 179.414 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 129' ' ' LYS . 62.9 p -68.96 -17.14 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.477 179.342 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -124.69 98.12 5.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.736 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.78 -16.19 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.18 -25.78 60.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -68.54 -52.37 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.57 -36.04 55.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.768 -179.787 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.8 p -72.15 -53.67 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.835 -178.902 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.13 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.901 0.382 . . . . 0.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.8 p -54.38 -33.26 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.738 179.271 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -68.47 -32.35 72.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.49 -38.18 86.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -58.21 -23.29 55.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.714 179.922 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.518 ' NH1' ' HB3' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -47.26 -49.53 23.31 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.6 mt-10 -68.12 -40.56 82.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 179.719 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.32 -26.76 65.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.4 ' CG2' HG21 ' A' ' 121' ' ' ILE . 80.8 mt -70.45 -43.98 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.8 mmp_? -56.66 -50.51 71.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.6 m -70.06 -11.61 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.233 -179.877 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.458 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.9 mmtt -126.78 67.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 179.776 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.41 -20.33 37.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.11 -55.69 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 180' ' ' LYS . 9.4 tp10 -67.73 133.75 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.1 -14.38 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.817 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 13.3 mptt -109.07 96.47 6.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.809 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 111' ' ' ILE . 4.1 mp -108.07 105.27 56.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.659 179.469 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.2 Cg_endo -62.87 130.79 30.48 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.383 2.055 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -139.31 161.38 37.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 50.0 tp -162.55 124.02 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 179.437 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -98.68 141.91 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.047 0.451 . . . . 0.0 111.756 -179.276 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 168' ' ' VAL . 7.4 t -143.32 157.15 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.617 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.9 5.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.317 179.935 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -94.37 -171.81 2.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.506 ' HE2' HG21 ' A' ' 96' ' ' THR . 11.2 mmmm 60.08 15.46 5.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -61.13 -13.34 16.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.15 -3.13 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.707 179.851 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 135' ' ' ARG . 44.5 mt -120.4 85.87 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.85 -27.94 63.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.62 -34.23 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -89.82 -2.28 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.803 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.479 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.3 ttm180 -67.8 108.23 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.16 179.535 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.413 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 29.5 mm-40 -87.58 -27.79 22.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.549 -179.186 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.4 t -96.75 106.97 33.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.248 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 36.7 Cg_exo -58.08 125.04 17.35 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.078 1.852 . . . . 0.0 111.218 179.091 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.561 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -46.21 -43.25 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.545 -179.408 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.77 -48.92 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.167 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.6 -36.83 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.39 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.9 mtt180 -65.82 -44.01 86.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.57 -179.564 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.9 t -59.98 -53.45 57.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -46.59 88.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 -179.717 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.29 -47.96 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.472 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.67 -31.65 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.521 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.9 -48.41 70.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.679 0.276 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.518 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 8.4 m0 -69.18 -7.75 39.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 179.768 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.89 27.36 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.003 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.65 168.1 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 0.0 111.377 -179.606 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -113.91 131.38 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.746 178.888 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.1 t80 -94.58 137.47 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 111.015 -179.527 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.51 152.62 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.714 -179.444 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.86 137.25 32.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.381 179.611 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 164' ' ' ASN . 64.6 p -146.78 157.31 43.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.086 0.47 . . . . 0.0 112.034 -179.334 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 m -129.11 110.93 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.43 179.371 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.65 -5.3 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.589 -179.937 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -94.5 -37.06 11.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.8 p -95.53 -6.19 41.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.38 -179.672 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.426 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 35.42 38.47 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.572 0.545 . . . . 0.0 111.626 -179.81 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.65 5.2 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.518 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.7 p -56.49 -39.05 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.82 -34.94 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.948 179.543 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -56.49 -30.66 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.949 -179.083 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 126' ' ' VAL . 2.8 m -73.05 -31.66 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 111.391 -179.375 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.56 -41.45 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -71.92 -40.82 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.045 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.07 -45.4 90.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.8 ttm -57.5 -41.01 79.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.133 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.55 -32.24 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.589 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.6 mt -72.5 -32.81 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -75.54 -42.3 52.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.569 -179.831 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.0 m -87.11 -59.33 2.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -178.324 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.44 -54.97 10.17 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.276 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.5 tptm -58.42 -37.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.85 -15.42 54.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.7 0.286 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t -64.21 -60.81 2.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 57.85 16.54 3.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.29 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -146.67 -56.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.691 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.836 179.829 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 500' ' ' GNP . . . . . 0.42 H5'1 ' H8 ' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.85 164.11 14.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.3 tp -135.98 110.28 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.6 129.96 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.2 mttm -107.43 123.17 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.265 -179.653 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.8 130.79 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.6 112.13 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.477 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.564 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 5.6 mmt -62.26 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.495 179.363 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.7 p -99.39 157.99 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.719 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -178.23 -162.32 27.81 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.651 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.2 p -64.57 -33.09 75.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.732 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.3 21.79 4.32 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.258 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.12 69.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 93' ' ' PHE . 78.5 t -127.76 -77.51 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.658 0.266 . . . . 0.0 111.162 -179.728 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.23 39.6 0.02 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.639 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 7.2 ptpp? -69.46 -35.56 75.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 31' ' ' THR . 97.6 p -57.58 -30.75 65.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.296 179.858 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.37 -54.11 23.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.091 -178.955 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.5 mm? -60.1 -24.76 64.9 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.645 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 28' ' ' SER . 65.3 m -64.56 -47.32 79.18 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 179.73 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.89 -36.87 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.368 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.681 HE22 ' HA ' ' A' ' 39' ' ' PHE . 61.0 mm-40 -56.43 -36.64 69.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -72.77 -25.13 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 179.86 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.67 -49.7 10.17 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.299 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.67 -6.87 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.0 m-20 58.15 38.88 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.067 0.46 . . . . 0.0 110.527 -179.688 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -149.86 135.31 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.548 -179.784 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.681 ' HA ' HE22 ' A' ' 33' ' ' GLN . 60.3 t80 -85.43 118.98 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.444 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.6 t -132.04 142.48 42.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.25 -38.77 92.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.3 m-20 -57.4 121.38 10.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -109.0 166.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 45.2 mt-10 -134.21 102.76 11.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_endo -64.95 157.99 53.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.268 179.951 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 68' ' ' ASP . 87.4 m -95.11 138.38 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.3 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -142.99 -44.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.89 -19.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.17 132.28 38.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -110.97 164.12 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 54.9 m-85 -104.06 145.58 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.654 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -147.91 146.38 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -165.85 142.54 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.497 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.38 121.96 28.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.6 m -137.54 143.41 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.875 179.596 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.628 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -90.24 139.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.016 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD23 HH11 ' A' ' 177' ' ' ARG . 55.3 tp -143.87 120.79 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 56.88 30.99 18.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.02 -31.7 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.84 123.27 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.8 tt0 -80.7 112.55 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.139 -179.699 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.39 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -87.6 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.723 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.59 142.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 23.3 t70 -123.55 118.22 26.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.974 -179.837 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.11 120.3 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -132.73 138.05 47.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.59 ' N ' HD13 ' A' ' 67' ' ' LEU . 18.2 t70 65.17 98.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 75.3 p -132.14 37.32 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -179.695 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.36 162.26 41.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.2 127.67 45.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.67 -74.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.665 0.269 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 54.95 -166.86 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 62.87 -79.08 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 179.764 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.492 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 73.7 m-85 -52.04 135.13 31.63 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.05 -38.04 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.801 -179.433 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.48 -28.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.806 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 62.8 mt -57.05 -29.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 23.9 ptt180 -69.67 -35.83 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.439 179.779 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 11.3 m-20 -69.45 -31.09 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -50.46 -34.82 26.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.158 179.657 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -60.15 -42.43 94.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.0 m-85 -63.23 -39.22 93.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' HB2' ' HB ' ' A' ' 114' ' ' VAL . 36.7 ttm180 -68.94 -15.94 63.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -81.28 -18.52 45.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.396 -179.558 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.76 157.3 15.48 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.776 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 10.8 mm-40 -96.81 -13.48 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 110.651 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -127.69 158.34 21.27 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.097 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 34.7 m-85 -135.46 131.97 36.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -122.02 106.82 11.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.784 179.758 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -82.76 118.84 23.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG22 HD22 ' A' ' 90' ' ' LEU . 3.3 t -126.5 131.03 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.707 -178.855 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.5 p90 -139.93 -176.81 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.715 179.019 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.417 ' OG ' ' HG3' ' A' ' 129' ' ' LYS . 15.6 t -124.02 141.57 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 136' ' ' ARG . 18.5 pt -71.52 -34.4 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.938 179.726 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.408 ' N ' HG13 ' A' ' 95' ' ' ILE . 58.7 p -65.9 -27.88 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -108.38 98.7 8.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.2 -17.74 62.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.32 -26.97 60.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.003 0.43 . . . . 0.0 110.909 -179.499 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -68.38 -54.05 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.445 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.71 -39.96 71.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.735 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.71 -53.78 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.319 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.82 -35.87 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.139 -179.455 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.621 ' HB ' HD11 ' A' ' 91' ' ' LEU . 6.9 p -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.375 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.47 76.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.15 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.752 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 35.1 m-85 -62.14 -26.72 68.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.68 -179.832 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.4 tmt_? -51.33 -48.74 62.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.74 -29.08 65.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.84 -26.68 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.457 -179.579 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.5 mt -67.18 -41.78 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.297 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.94 -27.31 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.419 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.4 mmp_? -62.88 -50.18 71.91 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 84' ' ' ARG . 4.3 m -70.23 -11.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -124.88 37.62 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.48 -15.69 58.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.39 -179.969 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.7 -26.11 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.22 144.47 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.69 -52.93 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.22 118.19 20.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 50.8 mm -122.02 106.17 36.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.6 Cg_endo -66.6 117.88 5.09 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.884 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.582 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 15.9 tp -129.27 160.96 31.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.582 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 20.8 tp -163.36 113.52 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 179.26 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.67 HG22 ' HD1' ' A' ' 154' ' ' TYR . 1.4 p -88.61 139.71 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.354 -179.439 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.32 153.93 29.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.187 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.72 110.71 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -81.98 -167.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 95' ' ' ILE . 68.6 mmtt 58.55 15.57 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.344 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.469 ' HA ' HH21 ' A' ' 136' ' ' ARG . 66.9 m -59.61 -17.84 36.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.122 -179.679 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.56 -13.12 18.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 110.399 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.4 mt -113.23 76.25 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.79 -25.53 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.198 -179.538 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -84.76 -12.92 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.103 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 65.2 mtp180 -109.0 2.47 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.899 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.469 HH21 ' HA ' ' A' ' 130' ' ' SER . 40.7 ttm105 -66.86 109.94 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.997 -179.789 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -82.05 -27.99 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.107 -179.833 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.18 109.95 54.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.73 147.26 72.78 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.264 1.976 . . . . 0.0 111.765 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 95.1 t -58.67 -54.94 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.506 -179.703 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.89 -33.57 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -179.111 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.18 -45.41 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.12 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.6 mtt180 -71.49 -51.61 22.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -62.9 -29.34 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.243 179.612 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -64.53 -48.9 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.225 179.548 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -52.48 -50.87 61.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.399 -179.112 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.13 -31.61 20.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.762 -179.525 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 146' ' ' LYS . 46.7 mt-10 -52.37 -48.97 65.28 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.284 179.621 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 150' ' ' TRP . . . . . 0.451 ' CZ3' ' HE3' ' A' ' 146' ' ' LYS . 12.6 m0 -83.97 5.56 25.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.91 20.54 61.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.599 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.444 HG23 ' HB1' ' A' ' 147' ' ' ALA . 21.8 m -121.26 -179.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.171 0.51 . . . . 0.0 111.627 -179.895 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -125.04 134.71 52.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.628 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.67 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.6 t80 -95.66 143.25 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 0.0 111.794 -179.411 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.34 148.49 29.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.51 141.41 28.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.4 p -144.23 153.11 41.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.905 -179.158 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.8 m -125.85 108.74 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.379 179.402 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -19.77 64.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.49 -31.32 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 48.4 p -95.98 -23.17 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.876 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.636 HH11 ' H ' ' A' ' 39' ' ' PHE . 13.8 mtm180 54.67 32.12 16.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.46 -55.3 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.679 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.49 30.72 2.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.1 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 168' ' ' VAL . 47.0 t -68.95 -47.8 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.514 178.97 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -72.03 -14.97 62.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.8 -31.3 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.524 -179.697 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.3 m -85.91 -34.44 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.312 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -74.83 -44.48 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.417 -179.911 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.14 -52.31 24.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.688 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.76 -42.75 68.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.915 -179.679 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -73.0 -35.35 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.69 -39.52 94.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.95 -34.88 79.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.8 mm-40 -64.87 -45.36 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.637 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 51.4 mt -58.09 -32.54 44.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.508 HH11 HD23 ' A' ' 57' ' ' LEU . 73.7 mtp180 -75.53 -52.66 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.818 -179.825 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.1 m -86.87 -59.37 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.417 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.8 tttp -58.13 -54.11 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.916 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 180' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 61.4 tttp -65.53 -57.71 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.354 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.7 mmt -60.8 -12.78 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.028 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 178' ' ' THR . 39.9 t -66.43 -60.92 2.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 58.42 28.2 16.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.824 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -58.43 -45.43 88.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.808 179.991 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.763 0.316 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.44 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.66 116.28 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -108.01 105.53 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -88.34 116.37 26.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.219 -179.435 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.08 135.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.576 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.36 114.41 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.404 -179.496 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -63.34 95.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.452 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -100.87 160.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 169.02 -157.41 29.43 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.807 -179.704 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' HG22 ' A' ' 104' ' ' THR . 31.0 t -61.83 -53.72 51.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.706 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.32 -36.65 0.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.153 -179.683 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.76 79.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.099 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.3 t -121.24 -60.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.9 27.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.103 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.4 mtmt -53.96 -47.21 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -66.39 -31.07 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.453 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.41 -52.83 50.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.763 -179.18 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -25.11 67.04 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.341 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 28' ' ' SER . 99.5 m -68.3 -44.2 75.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.021 179.713 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.23 -37.44 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.2 mm100 -58.95 -37.98 77.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -72.64 -25.12 61.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.772 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 tpp -80.57 -48.62 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -178.645 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.81 -5.95 19.4 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.412 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 57.06 29.66 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.937 0.399 . . . . 0.0 110.342 -179.515 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -154.2 153.1 31.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.777 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 64.5 t80 -87.11 105.6 17.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.631 179.843 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 142.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.646 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.31 142.76 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -155.48 -54.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.9 t80 62.26 108.49 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.61 98.52 5.35 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.18 124.18 15.66 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.534 2.156 . . . . 0.0 112.535 -179.874 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -72.03 143.72 49.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -142.09 -46.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.92 3.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.52 136.21 33.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -116.46 159.99 21.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -116.45 135.01 54.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.88 160.33 34.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.317 -179.864 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -166.13 162.98 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.18 128.43 56.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.94 0.4 . . . . 0.0 111.467 -179.598 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.29 170.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.675 179.661 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.8 t -115.22 144.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.212 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -140.72 97.85 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.19 31.3 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.65 59.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.931 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' HH12 ' A' ' 177' ' ' ARG . 9.4 tp10 -117.83 118.91 33.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -93.0 120.07 32.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.337 -179.415 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -143.05 148.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -98.69 138.97 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -105.62 123.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 179.775 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -102.89 113.71 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 -179.788 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.4 mt -98.39 122.52 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.1 tm? -138.37 137.89 37.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.658 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.8 t70 65.5 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -164.39 9.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.566 -179.554 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.49 166.48 23.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.582 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 126.52 41.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.233 179.656 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.28 -34.04 67.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.514 0.197 . . . . 0.0 111.183 -179.641 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 63.36 116.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.66 97.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.713 -179.639 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -161.67 135.57 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.073 -179.553 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -49.36 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.783 179.588 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.11 25.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.14 -17.34 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -54.85 -56.44 19.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 179.857 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -53.98 -33.59 57.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.97 -41.65 98.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.134 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.03 -47.44 65.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -59.17 -30.14 67.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.758 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' N ' HG11 ' A' ' 114' ' ' VAL . 64.1 ttt180 -78.51 -23.7 46.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -76.36 -20.77 56.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.91 -161.78 22.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -140.08 -32.98 0.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.579 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -107.14 165.59 13.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.434 -179.97 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -140.57 137.85 34.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.319 -179.749 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 172' ' ' LEU . 16.7 mt -128.02 111.02 13.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.793 178.843 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.7 OUTLIER -81.82 130.33 35.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.438 -179.775 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.03 137.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.356 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.653 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.8 p90 -160.39 149.43 17.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.036 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.43 ' OG ' HG13 ' A' ' 25' ' ' VAL . 42.2 m -95.18 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.042 0.448 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.459 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.9 pt -73.23 -34.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.767 179.435 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 132' ' ' LEU . 57.0 p -64.97 -28.08 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.02 179.774 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -107.27 95.0 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -63.11 -16.26 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.031 179.872 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.5 -26.85 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.241 -179.166 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 83.2 p -74.19 -48.32 29.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.51 -178.848 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.0 -42.77 49.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.115 0.483 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.1 p -72.21 -53.53 12.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.33 -179.412 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.89 73.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.611 -179.233 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.655 ' HB ' HD11 ' A' ' 91' ' ' LEU . 24.0 p -55.72 -31.51 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.23 70.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.205 -179.778 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.32 -40.63 93.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.66 179.613 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -64.93 -25.04 67.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -49.48 -44.44 45.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.68 -37.16 73.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.963 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 60.1 mm-40 -61.59 -29.33 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.06 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.215 -179.877 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.3 -26.39 65.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.772 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 28.7 mmm180 -50.6 -51.21 50.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.753 -179.378 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.583 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.6 m -66.14 -34.69 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.3 mmtt -104.93 54.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.233 179.312 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.22 -39.18 56.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.625 -179.559 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.47 -41.42 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 62.94 121.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.611 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.35 -61.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.811 179.483 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.558 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 46.0 mmtm -145.05 89.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.903 179.167 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.47 109.49 36.53 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.691 -178.894 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.572 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 83.7 Cg_endo -81.82 135.46 8.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.398 2.065 . . . . 0.0 111.681 179.08 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.7 tp -151.05 165.82 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.262 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.474 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 28.0 tp -168.63 137.24 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.381 179.638 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 91' ' ' LEU . 2.6 t -105.48 144.14 15.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 111.569 -179.503 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.402 ' HB ' HG11 ' A' ' 168' ' ' VAL . 7.8 p -139.88 132.35 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.2 179.547 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.33 106.08 2.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.053 179.332 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.8 -175.23 5.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.644 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.421 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 56.53 16.54 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.494 -179.904 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -61.1 -17.41 52.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.229 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.99 -17.98 42.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.767 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.574 HD13 ' HD3' ' A' ' 135' ' ' ARG . 63.1 mt -105.42 82.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 179.844 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.551 ' HG2' HH22 ' A' ' 136' ' ' ARG . 32.0 mt-10 -72.99 -17.74 61.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -91.26 -21.32 21.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.818 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 135' ' ' ARG . . . . . 0.574 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.1 mtp180 -105.74 10.36 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.755 179.913 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.551 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.2 ttm180 -73.96 117.39 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -96.52 -29.44 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.82 111.77 61.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.28 128.5 22.83 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.095 1.864 . . . . 0.0 111.254 179.216 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.6 p -51.89 -44.72 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.314 -179.542 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -56.81 -47.31 80.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.51 -27.57 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.295 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.81 60.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.1 mtt180 -69.12 -38.18 78.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.05 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.3 t -65.25 -51.43 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.118 -179.585 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.31 97.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 -179.816 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.59 78.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.377 -179.907 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.38 -32.26 73.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.251 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -53.67 -43.09 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -69.72 -17.11 63.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.57 24.38 10.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.18 171.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.486 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.31 165.66 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.482 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -133.34 138.2 46.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 155' ' ' VAL . . . . . 0.487 HG11 ' HZ1' ' A' ' 167' ' ' LYS . 61.8 t -140.69 152.56 20.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.637 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 156' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 155' ' ' VAL . 37.1 mt-10 -89.26 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.202 179.539 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.62 HG22 ' HB2' ' A' ' 164' ' ' ASN . 43.6 p -143.96 157.62 44.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.033 0.444 . . . . 0.0 111.687 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.4 m -126.53 111.13 14.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.39 -3.39 2.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -91.98 -37.88 12.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.498 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 78.9 p -96.29 -3.39 44.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.007 179.858 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 162' ' ' ARG . . . . . 0.498 ' HG3' ' C ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.42 40.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.89 -179.718 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -56.13 4.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.853 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 164' ' ' ASN . . . . . 0.62 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.0 m-20 -112.21 15.37 20.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.395 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.8 p -64.68 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.744 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -74.08 -14.82 61.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.3 179.562 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 167' ' ' LYS . . . . . 0.487 ' HZ1' HG11 ' A' ' 155' ' ' VAL . 6.1 tmmm? -67.31 -35.22 79.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.089 -178.937 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.4 m -72.51 -28.94 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.823 0.344 . . . . 0.0 111.083 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -74.85 -43.77 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.47 -50.18 47.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.772 179.568 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.32 -53.38 51.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 90' ' ' LEU . 1.5 tm? -56.45 -44.99 81.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 22.8 ttp -56.88 -43.02 80.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.477 ' HA ' ' HG2' ' A' ' 177' ' ' ARG . 70.0 mtm180 -69.95 -37.79 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.96 -34.99 79.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.579 HD11 ' HA3' ' A' ' 88' ' ' GLY . 96.4 mt -72.67 -53.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.479 HH12 ' HB3' ' A' ' 60' ' ' GLU . 1.8 ptp180 -59.75 -30.16 68.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.396 -179.638 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 178' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 182' ' ' SER . 63.7 m -87.64 -59.65 2.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -179.456 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 54.9 tttp -70.44 -54.37 12.61 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.889 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.32 -38.64 80.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.673 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.0 mmt -81.6 -16.13 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.265 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 178' ' ' THR . 54.4 p -64.84 -55.99 16.16 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.503 -179.78 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 59.89 107.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.364 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 61.99 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.294 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.92 110.08 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 63' ' ' GLN . 62.1 tp -84.54 101.3 11.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.28 129.56 52.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 60.9 mttp -102.78 121.97 43.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.219 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.49 129.2 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -105.9 122.26 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.464 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -78.6 78.15 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.786 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.5 p -84.12 157.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.43 -164.6 32.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.498 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.4 t -59.1 -56.26 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.69 -24.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.998 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.61 64.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.146 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 93' ' ' PHE . 47.0 t -109.23 -72.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 0.0 111.288 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.2 39.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.104 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.732 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.99 -37.03 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.289 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.2 p -60.14 -29.56 68.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.01 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.7 -52.83 63.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.917 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.744 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.34 -25.57 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.2 m -65.83 -43.02 89.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.422 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.16 -46.77 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.6 mm100 -55.66 -36.06 66.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 111.517 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.72 -27.08 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.77 0.319 . . . . 0.0 111.373 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.75 -49.75 9.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -117.23 -5.65 11.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-20 58.66 31.82 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' HE22 ' A' ' 33' ' ' GLN . 34.4 tt0 -139.73 133.04 29.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.911 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -84.28 107.74 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.87 144.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.962 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -98.84 126.39 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -144.41 -31.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.7 t80 62.76 107.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.258 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -109.25 118.75 50.3 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.88 132.82 54.35 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.288 1.992 . . . . 0.0 111.885 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.4 m -118.84 141.3 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.351 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -157.57 -37.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -164.51 -17.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' H ' ' H ' ' A' ' 48' ' ' ALA . 11.6 m-20 -72.4 127.27 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB3' HD23 ' A' ' 67' ' ' LEU . 66.9 p -117.36 170.57 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -109.49 126.06 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.81 140.23 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.982 0.42 . . . . 0.0 111.368 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -159.65 169.68 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.47 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -114.73 133.43 55.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 111.521 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -143.09 138.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.8 p -78.57 146.57 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.348 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -136.61 102.23 4.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 52.03 30.82 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.37 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 24.03 12.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.9 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -144.01 113.14 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -81.2 112.81 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 m -123.18 153.13 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 37.2 mt-30 -83.21 148.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 tt -134.81 116.2 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 111.142 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -106.11 114.19 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.454 HG21 HG23 ' A' ' 31' ' ' THR . 49.1 mt -101.4 138.35 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.9 tm? -140.85 101.21 4.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.82 146.45 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.4 p -124.04 123.27 39.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.297 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.97 -163.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.936 179.579 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.988 0.423 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -67.29 -37.17 82.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.86 -31.27 62.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.25 -43.89 75.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.8 -30.54 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.599 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -84.38 -32.29 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -80.79 -8.78 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.6 p -94.59 2.8 55.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.9 160.04 23.94 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -92.57 -52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.476 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.54 161.31 26.07 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.643 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -134.64 140.34 45.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.303 . . . . 0.0 110.755 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.93 103.71 7.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.606 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -83.29 96.82 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.754 HG23 HG13 ' A' ' 126' ' ' VAL . 13.0 p -107.8 131.76 57.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.64 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -136.33 -173.6 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.4 t -121.43 144.92 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.373 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.5 pt -78.46 -33.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.949 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -68.9 -19.69 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.72 97.81 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -63.11 -16.32 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.39 -26.6 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 20.2 m -67.76 -53.99 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.293 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.42 -35.93 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.763 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -72.21 -54.08 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.093 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.9 84.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.64 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.5 p -58.66 -31.73 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.18 79.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.49 -47.06 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.67 -29.69 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.104 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -51.06 -45.37 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.91 -30.16 66.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 113' ' ' ARG . 76.3 mt-30 -68.61 -25.12 64.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.365 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.28 -44.95 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.3 -27.04 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.804 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' GLN . 99.6 mtt180 -61.44 -48.64 80.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.3 m -72.54 -12.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -125.98 42.77 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -27.3 68.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.368 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.54 -31.45 47.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.95 163.67 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.08 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.26 107.63 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.18 104.96 46.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.27 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.476 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.3 Cg_endo -67.43 132.46 27.42 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.455 2.103 . . . . 0.0 111.907 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -148.94 155.65 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.8 tp -153.75 127.65 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.585 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.9 p -103.76 142.55 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.017 0.437 . . . . 0.0 111.396 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.754 HG13 HG23 ' A' ' 92' ' ' VAL . 13.8 p -151.74 152.97 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.825 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.8 119.74 3.26 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.97 -162.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' HD11 ' A' ' 95' ' ' ILE . 72.7 mmtt 58.46 12.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.635 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.42 ' HA ' HH21 ' A' ' 136' ' ' ARG . 51.0 m -61.25 -12.16 12.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.38 -4.38 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.96 78.33 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 38.7 mt-10 -72.54 -15.9 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.44 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -93.2 -14.67 26.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.355 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.6 mtt180 -113.94 17.01 18.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.3 ttm105 -82.4 113.3 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -88.69 -31.01 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.802 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.4 t -98.79 109.41 53.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.179 1.92 . . . . 0.0 111.483 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -54.46 -44.99 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.395 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.1 mt-10 -61.4 -43.09 99.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.99 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.0 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.509 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.8 mtt180 -71.4 -40.89 70.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.08 -52.92 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.669 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -47.26 87.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.377 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.42 -32.75 74.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.766 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.4 -32.38 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.712 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.17 -39.33 63.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.687 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.79 30.66 3.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.738 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.03 170.8 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 111.572 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -112.55 131.07 55.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.996 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.585 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.6 t80 -95.54 143.16 27.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.196 0.522 . . . . 0.0 111.88 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.23 153.66 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -93.39 145.08 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.4 p -148.36 159.54 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.45 . . . . 0.0 111.764 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.4 m -130.76 108.67 10.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.424 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.08 -3.73 8.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.37 -32.32 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.531 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 -18.23 21.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 50.64 29.4 4.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.54 4.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.09 19.2 18.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 33' ' ' GLN . 5.7 p -66.95 -41.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.41 -15.03 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -60.04 -42.33 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.877 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.8 m -71.28 -26.73 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 111.658 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.422 ' O ' ' HG3' ' A' ' 173' ' ' MET . 69.2 m-85 -74.8 -48.07 27.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.53 -47.62 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.625 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.54 -38.62 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.454 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.7 -52.46 65.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.269 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 67.1 mtm -55.78 -46.13 78.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -57.62 -35.81 70.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.903 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -31.03 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.3 mt -72.71 -54.52 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 181' ' ' MET . 50.5 mtm180 -54.82 -33.04 61.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 85.1 m -87.3 -59.57 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -70.83 -54.39 11.75 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -57.84 -47.94 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -71.78 -12.46 61.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.401 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.3 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 0.0 110.803 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 159.48 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.56 108.74 8.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -111.09 150.39 29.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.2 mttm -125.43 112.6 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.106 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.74 131.55 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.46 113.7 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.62 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 84.6 mmm -67.95 98.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.756 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -110.93 157.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 167.14 92.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.003 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' THR . 28.8 t 61.6 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.57 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.37 66.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.012 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.99 27.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.1 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.53 -30.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.23 41.09 0.48 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.254 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.42 -27.43 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 110.759 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 31' ' ' THR . 78.9 p -74.09 -29.5 61.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.628 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.09 -52.56 64.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.879 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -59.56 -24.83 64.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.5 m -72.59 -43.54 63.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.546 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.63 -33.67 71.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.364 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.544 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.3 mm100 -72.65 -36.17 67.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.969 0.414 . . . . 0.0 111.098 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -73.28 -46.55 49.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.508 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.439 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 63.7 mtp -82.51 -50.0 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.49 -24.64 16.56 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.2 m-20 59.4 41.33 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.537 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -141.23 133.55 28.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.783 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -98.9 112.86 24.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.0 t -133.5 148.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -30.7 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.634 ' H ' HG12 ' A' ' 40' ' ' VAL . 19.0 t70 -64.56 155.81 31.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -133.95 155.25 50.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -120.04 99.19 48.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.91 156.67 14.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.516 2.144 . . . . 0.0 112.296 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 48' ' ' ALA . 30.4 m -71.54 116.76 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -94.17 28.48 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.602 ' H ' HG22 ' A' ' 46' ' ' THR . . . 61.99 20.2 11.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.228 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.28 135.61 54.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 t -92.02 176.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -119.34 152.54 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -143.96 131.92 21.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -150.02 150.22 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -98.66 118.16 34.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.2 m -136.4 139.32 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.747 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.3 p -77.61 138.28 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.583 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 HH11 ' A' ' 177' ' ' ARG . 54.6 tp -135.51 112.1 10.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 57.2 30.85 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.12 -33.38 5.82 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.828 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 119.71 35.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.762 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.1 tt0 -79.4 137.11 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.15 150.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.875 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.28 130.71 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.452 HD12 ' HE2' ' A' ' 173' ' ' MET . 14.5 tt -108.42 138.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.489 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.2 t70 -117.45 113.37 21.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.57 134.75 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -141.8 107.52 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.64 145.91 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.003 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.9 p -129.37 116.82 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 172.11 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.989 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.809 0.337 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -51.89 -41.31 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -54.66 -32.33 59.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.36 -47.91 83.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.42 -28.53 70.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -84.99 -16.75 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.382 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -81.48 -21.7 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.3 t -95.89 1.56 53.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.09 120.31 4.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.569 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.96 -49.56 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.714 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.618 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -104.28 164.26 14.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.269 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -135.44 146.67 48.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.62 102.87 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.807 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 HG12 ' A' ' 126' ' ' VAL . 40.5 t -139.57 122.49 17.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.539 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.4 p90 -128.41 144.81 51.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.836 0.351 . . . . 0.0 110.502 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -87.95 147.59 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.409 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.7 pt -78.36 -35.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.5 p -68.0 -19.63 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.74 99.47 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.02 -16.93 61.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.01 -26.54 62.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 m -67.9 -54.4 19.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.436 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -58.12 -35.41 71.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.699 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.0 p -71.98 -53.83 11.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.671 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -62.56 -39.02 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.733 ' HB ' HD21 ' A' ' 91' ' ' LEU . 12.4 p -58.49 -36.08 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.581 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.54 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 42.3 mt-10 -66.26 -48.95 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -57.26 -25.74 59.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.02 -50.3 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.94 -36.35 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 9.8 mm-40 -61.33 -28.65 69.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.01 -37.01 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -67.85 -26.19 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.626 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 36.9 mmt180 -50.44 -44.34 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.732 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -79.5 -49.2 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -87.3 32.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.37 -22.07 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -89.34 -19.6 25.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -81.47 147.88 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.7 -69.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -87.01 118.41 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 29.9 mm -103.11 104.99 43.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 24.2 Cg_endo -61.7 116.72 3.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.385 2.056 . . . . 0.0 111.769 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 46.5 tp -145.05 158.33 43.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.949 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 25.4 tp -159.46 128.51 5.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.392 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.678 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -104.67 143.86 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.381 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 92' ' ' VAL . 5.1 p -146.4 158.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -122.69 108.87 1.3 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -81.14 -170.53 2.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt 57.76 16.31 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 t -64.23 -15.06 59.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.24 -17.6 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.2 mt -105.92 84.07 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.635 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.497 ' HG2' HH22 ' A' ' 136' ' ' ARG . 40.9 mt-10 -72.58 -13.63 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.083 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.87 -28.7 16.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.303 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.572 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -98.06 17.86 17.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.23 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.497 HH22 ' HG2' ' A' ' 133' ' ' GLU . 45.4 ttm105 -82.87 116.53 22.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.574 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -99.43 -24.03 14.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.37 102.16 20.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.381 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.9 132.44 44.99 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.055 1.837 . . . . 0.0 111.254 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.36 -43.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.721 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 44.6 mt-10 -55.46 -49.72 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.566 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.235 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.457 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.4 mtt180 -73.0 -37.91 66.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -64.79 -46.64 81.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.525 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.438 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.2 OUTLIER -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.377 -179.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.678 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.19 -36.04 76.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.751 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.48 -32.53 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -51.76 -45.35 63.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.438 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 11.1 m0 -62.65 -25.5 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.52 18.18 10.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.254 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.74 -176.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.471 . . . . 0.0 111.287 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -124.47 132.53 53.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.543 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -101.14 141.83 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.11 0.481 . . . . 0.0 111.489 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.52 153.77 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.287 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.59 138.31 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -148.55 152.75 37.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.0 p -117.7 109.73 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.22 -8.53 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.428 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -79.19 -53.68 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.1 p -86.73 3.24 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.269 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.544 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.06 40.61 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.62 0.575 . . . . 0.0 111.9 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.43 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.174 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.475 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.5 m-20 -111.87 15.0 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -67.09 -34.09 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.717 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.27 -15.53 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.75 -39.95 95.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.193 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 111.695 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -74.74 -45.41 44.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.95 -39.62 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.2 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.505 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 14.4 t70 -59.53 -51.93 67.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.4 tm? -56.77 -43.98 81.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.477 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.0 ttm -55.53 -41.38 73.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 92.4 mtm180 -69.8 -45.65 67.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.623 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -54.73 -48.99 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.618 HD11 ' HA3' ' A' ' 88' ' ' GLY . 78.4 mt -57.93 -32.17 42.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.51 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.56 HH11 HD23 ' A' ' 57' ' ' LEU . 82.7 mtp180 -74.12 -55.48 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.8 m -87.81 -58.79 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -59.19 -54.43 47.0 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 63.4 tttm -62.64 -55.85 23.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.6 mmt -60.22 -12.84 9.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.548 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 179.759 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.809 0.338 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 153.75 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -122.16 111.58 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.375 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -105.04 118.41 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.226 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 87' ' ' GLU . 99.4 mttt -85.46 146.46 26.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.491 HG13 HD23 ' A' ' 172' ' ' LEU . 2.0 t -132.22 123.44 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.487 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.3 mm -107.08 107.78 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.17 105.02 2.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.9 p -117.98 156.98 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.795 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 165.57 88.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 104' ' ' THR . 30.1 t 62.11 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.58 45.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.294 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.45 34.88 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.01 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.39 -69.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.95 38.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.252 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -55.99 -55.81 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 111.086 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -56.27 -31.31 63.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.85 -53.04 45.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 19' ' ' MET . 1.2 mt -62.86 -24.84 67.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.9 m -67.18 -47.53 70.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.191 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.38 -29.56 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.6 mm100 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -72.77 -29.59 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.6 -49.79 9.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -107.9 -21.01 13.0 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.1 m-20 62.5 30.74 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.624 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -137.77 128.04 26.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.717 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -77.87 108.96 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.3 t -109.82 151.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -86.38 12.52 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 9.1 m-20 -120.98 120.62 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -103.08 -176.92 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.98 128.39 11.07 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 156.02 64.07 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.433 2.089 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -89.85 127.85 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -134.55 -62.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.41 1.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 48' ' ' ALA . 17.1 t70 -76.95 133.67 39.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -117.83 174.23 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 36.8 m-85 -118.1 144.01 45.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.696 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.02 132.44 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -158.7 144.59 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 61.5 mttp -96.1 132.62 41.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.493 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.24 157.62 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.923 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.61 116.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 tp -120.69 112.91 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' HB2' HH12 ' A' ' 177' ' ' ARG . 11.4 m-20 56.36 31.26 18.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 20.38 64.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.869 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.53 114.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.68 112.78 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.507 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.39 144.04 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 43.5 mt-30 -81.1 143.51 32.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.323 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.449 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.9 tt -115.82 131.08 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.611 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 19.8 t70 -115.82 116.18 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 HG23 ' A' ' 31' ' ' THR . 84.2 mt -112.21 145.81 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.99 105.42 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -69.23 142.02 54.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.7 p -127.93 131.83 49.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.13 -160.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 CA--C 1.53 0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -46.52 -35.36 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -55.06 -41.47 71.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.366 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -54.79 -34.51 62.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -77.24 -22.16 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.698 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -84.52 -20.62 31.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -84.39 -15.45 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -89.64 13.81 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.14 171.45 24.18 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.685 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' A' ' 16' ' ' LYS . 11.8 pt-20 -114.92 -33.89 5.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.16 160.87 13.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.164 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.33 132.09 33.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 168' ' ' VAL . 0.6 OUTLIER -119.33 99.18 6.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.678 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.57 128.11 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.644 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' A' ' 126' ' ' VAL . 54.0 t -141.88 128.09 19.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.602 ' HB3' HG21 ' A' ' 104' ' ' THR . 20.8 p90 -125.11 149.98 47.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.269 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.2 t -88.11 141.11 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.423 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.2 pt -75.41 -31.84 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 HD12 ' A' ' 132' ' ' LEU . 66.0 p -72.49 -12.32 61.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.853 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -126.09 100.18 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -63.06 -16.08 58.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.92 -26.69 61.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 90.2 p -69.07 -53.83 18.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.282 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.05 -35.92 62.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.449 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.56 -53.98 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.17 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.62 89.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.678 ' HB ' HD11 ' A' ' 91' ' ' LEU . 15.4 p -55.2 -44.72 75.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -45.88 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.0 -25.87 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.177 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.446 ' NE ' ' NE1' ' A' ' 150' ' ' TRP . 8.9 ttm180 -52.0 -46.52 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.93 -39.18 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -60.46 -26.99 67.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -40.64 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.142 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.487 HD22 HG13 ' A' ' 121' ' ' ILE . 41.1 mt -67.8 -26.23 65.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.632 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 4.0 mmp_? -50.61 -50.72 53.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.755 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -69.28 -35.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.86 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -106.04 37.85 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.114 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.16 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.309 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.66 -15.91 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.65 134.37 41.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.44 -50.9 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -87.11 122.64 31.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.487 HG13 HD22 ' A' ' 112' ' ' LEU . 38.0 mm -123.05 109.78 31.55 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.35 130.33 26.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.506 2.138 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -144.42 158.05 43.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.372 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.5 tp -166.13 124.7 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.514 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -102.39 143.33 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.396 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' A' ' 92' ' ' VAL . 3.5 t -141.04 151.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.84 110.5 2.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.244 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.05 -179.32 7.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.797 0.332 . . . . 0.0 110.203 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.415 ' O ' HD11 ' A' ' 95' ' ' ILE . 26.9 mmmt 54.47 19.78 2.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.127 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.8 t -62.85 -10.51 13.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.61 -2.7 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.56 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.9 mt -118.94 79.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.57 -26.57 67.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -83.79 -8.16 59.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.168 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.56 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.8 mtt180 -119.85 17.51 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.234 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.423 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.9 ttm180 -84.72 109.01 17.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.3 -32.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.9 t -92.49 101.86 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.75 132.98 55.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.154 1.903 . . . . 0.0 111.233 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -54.73 -45.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.765 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.8 pt-20 -55.17 -34.65 64.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.39 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.3 tt0 -75.66 -43.88 45.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.83 -28.54 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.287 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtt180 -74.69 -42.13 58.97 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.02 -36.46 81.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -43.84 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.506 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.05 -43.52 95.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.872 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.02 -32.17 20.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.361 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.55 -47.55 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.859 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.446 ' NE1' ' NE ' ' A' ' 108' ' ' ARG . 8.2 m0 -65.81 -13.37 59.37 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 110.728 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.89 26.43 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.634 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.23 -177.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 111.399 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.59 131.32 48.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.498 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.514 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.9 t80 -94.42 134.71 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.102 0.477 . . . . 0.0 111.281 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 126' ' ' VAL . 10.1 p -130.53 152.23 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.432 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -90.66 136.4 33.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 164' ' ' ASN . 82.5 p -147.38 153.17 39.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 0.0 111.716 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.6 m -126.58 109.03 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.91 -8.65 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -88.82 -40.24 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.7 p -96.34 -4.18 42.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? 34.51 41.69 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.997 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.89 -56.21 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.834 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.443 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.43 10.37 19.78 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.4 p -57.27 -43.25 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.76 -27.04 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.451 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -57.03 -31.42 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.176 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.593 HG23 HD11 ' A' ' 90' ' ' LEU . 4.9 m -81.34 -27.28 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -71.61 -48.1 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.604 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -66.17 -30.3 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.93 -45.31 74.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.484 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.491 HD23 HG13 ' A' ' 17' ' ' VAL . 49.1 tp -57.21 -49.93 74.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.65 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD12 ' A' ' 64' ' ' ILE . 61.3 mtm -54.23 -49.74 68.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.742 0.306 . . . . 0.0 111.308 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.82 -34.71 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.776 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.21 -30.33 69.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.05 -54.93 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.577 HH12 ' HB2' ' A' ' 58' ' ' ASP . 61.7 mtp180 -55.62 -31.85 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.487 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.9 m -86.73 -58.69 2.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.479 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 55.6 tttp -70.44 -54.41 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.91 -55.55 33.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.0 mmt -63.08 -12.83 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.785 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.604 0.24 . . . . 0.0 111.397 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 61' ' ' GLU . 84.9 mt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.15 143.43 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -115.4 118.99 34.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -103.88 153.06 21.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.14 146.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.03 128.47 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.586 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.8 mm -113.12 117.07 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.575 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.0 101.15 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.241 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -85.91 170.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.551 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 171.7 158.89 16.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.417 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 100' ' ' SER . 77.7 p -50.22 -34.12 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.112 0.482 . . . . 0.0 110.74 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.93 -5.06 1.69 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.007 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.68 70.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.157 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG13 ' OG ' ' A' ' 94' ' ' SER . 54.0 t -117.21 -66.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.319 . . . . 0.0 111.405 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.57 26.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.282 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.1 pttm -54.43 -52.72 60.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.337 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' THR . 90.8 p -61.1 -30.34 70.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.46 -53.58 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.422 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -24.96 63.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.526 HG23 HG21 ' A' ' 66' ' ' ILE . 31.8 m -63.95 -54.09 40.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.16 -30.01 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.106 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.4 mm100 -61.86 -37.46 84.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.93 -25.71 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.368 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.4 tpp -81.87 -49.72 10.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -104.89 -6.13 20.47 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 55.31 32.22 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -150.28 158.34 44.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.583 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 51.0 t80 -85.65 108.33 17.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 42' ' ' ASP . 60.7 t -114.87 130.59 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.2 -22.87 30.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' H ' HG12 ' A' ' 40' ' ' VAL . 6.6 m-20 -77.09 160.71 28.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.68 -177.82 4.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.22 148.05 43.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.45 148.37 63.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.42 2.08 . . . . 0.0 112.243 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -116.97 129.46 56.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.69 -39.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.45 4.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -77.48 129.74 36.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p -123.31 155.99 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.95 150.3 21.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -146.15 137.81 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -168.95 138.41 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.26 124.56 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.379 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.3 144.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -87.21 141.22 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -141.58 110.28 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 56.09 31.33 17.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.08 -35.15 4.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -89.96 113.93 25.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.5 tt0 -83.11 113.73 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -121.51 146.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.76 137.51 36.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.7 tt -110.95 143.38 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -132.02 113.2 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.296 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 31' ' ' THR . 83.1 mt -104.6 141.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.498 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -134.2 109.87 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.22 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -94.44 136.37 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -104.16 -173.39 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.77 176.86 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.828 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -65.16 -46.47 80.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.41 -31.06 54.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -52.76 -51.33 61.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.454 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -62.78 -47.89 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.217 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -62.35 -18.37 61.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -81.6 -45.98 15.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.259 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.5 t -77.49 11.32 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -121.95 167.94 14.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.786 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.85 -63.4 1.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.337 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.95 148.53 19.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.234 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.7 143.25 49.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.3 mt -130.01 111.45 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.8 tp -82.27 138.75 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.95 125.22 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.9 p90 -148.16 141.47 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.588 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.424 ' OG ' HG13 ' A' ' 25' ' ' VAL . 75.4 m -83.85 150.14 25.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.965 0.412 . . . . 0.0 111.101 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 136' ' ' ARG . 40.9 pt -76.84 -33.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.0 t -76.66 -19.91 57.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HG2' HG23 ' A' ' 96' ' ' THR . 19.9 mm-40 -105.61 97.01 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.659 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.4 ' HB2' ' HG2' ' A' ' 137' ' ' GLN . 55.4 t-80 -62.44 -20.29 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.14 -27.02 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 32.4 m -69.16 -53.85 17.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.301 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.28 -41.91 76.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.87 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -70.65 -53.41 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.181 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.92 -44.63 94.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.323 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.576 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.4 p -57.4 -32.26 66.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.44 -31.71 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.678 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 48.2 mt-10 -68.29 -43.78 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -55.65 -25.0 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.93 -52.02 59.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.74 -37.36 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.17 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.473 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 12.4 mm-40 -56.5 -35.7 68.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.76 -40.32 86.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.3 -26.04 66.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.73 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 32.4 mmt180 -51.45 -50.86 58.94 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -68.52 -35.09 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 111.122 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.9 mmtt -97.24 60.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.695 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.65 -15.54 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.98 -23.96 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 8.9 tp10 -85.25 155.0 21.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.741 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -106.84 -67.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.504 ' HE2' ' HE3' ' A' ' 179' ' ' LYS . 12.4 tptm -76.82 108.78 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.324 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mm -105.35 116.81 59.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.445 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.34 117.66 5.19 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.267 1.978 . . . . 0.0 111.796 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -142.05 158.12 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.0 111.233 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.71 130.75 7.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.867 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.51 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -104.98 143.36 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 111.786 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.413 ' HB ' HG11 ' A' ' 168' ' ' VAL . 2.7 p -132.93 162.81 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.023 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.03 125.9 5.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.859 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -97.6 -179.46 4.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.798 0.332 . . . . 0.0 110.369 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HB3' HD12 ' A' ' 132' ' ' LEU . 73.6 mmtt 56.75 25.34 10.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 73.8 m -62.62 -20.14 64.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.8 -3.42 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.4 mt -105.53 78.69 1.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.077 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.87 -19.04 61.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.2 pt-20 -93.79 -34.53 13.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 95.5 mtt180 -87.14 0.39 55.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.37 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.441 ' HB2' HD12 ' A' ' 95' ' ' ILE . 43.8 ttm105 -59.72 107.99 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.913 0.387 . . . . 0.0 111.081 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' A' ' 98' ' ' HIS . 6.1 tp-100 -88.16 -28.37 21.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.9 t -113.5 107.75 52.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.883 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.62 126.07 21.15 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.212 1.941 . . . . 0.0 111.74 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.489 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.2 p -47.39 -43.06 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.81 -48.81 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.48 -34.72 78.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.716 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.01 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 72.5 mtt180 -75.76 -47.74 24.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -52.7 -41.44 63.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -76.72 -47.53 21.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 146' ' ' LYS . . . -51.12 -27.98 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.047 0.451 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.41 -32.08 69.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.924 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' A' ' 146' ' ' LYS . 30.3 mt-10 -50.46 -46.54 56.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 110.798 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.479 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 35.9 m0 -66.62 -24.7 66.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.43 19.41 9.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.393 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.94 178.23 3.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 111.728 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.64 127.18 53.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.696 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.51 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.2 t80 -94.83 141.88 28.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.45 . . . . 0.0 111.511 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 156' ' ' GLU . 43.5 t -137.24 154.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 155' ' ' VAL . 42.0 mt-10 -89.58 142.45 27.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -149.59 162.12 40.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.3 t -132.4 111.33 11.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.09 -6.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.54 -43.63 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 36.4 p -92.36 -7.82 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.322 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? 35.89 39.29 0.07 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.974 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.03 -56.07 5.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.29 15.89 20.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.13 -40.74 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.648 0.261 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.07 -14.53 61.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -62.3 -44.16 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.413 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.2 m -71.34 -31.9 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.775 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -68.26 -48.34 65.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.82 -40.5 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.376 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.02 -51.06 70.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.014 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.61 -40.47 91.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.9 ttp -56.68 -38.29 72.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.9 -34.2 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -59.04 -47.95 83.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 66.8 mt -57.51 -32.7 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -75.29 -57.51 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.3 m -87.38 -58.93 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.504 ' HE3' ' HE2' ' A' ' 120' ' ' LYS . 80.8 tttt -58.1 -54.08 51.05 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 55.7 tttp -63.15 -56.05 20.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.96 -12.77 20.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.6 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.784 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.48 167.21 10.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.436 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.78 100.36 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.321 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.439 ' NE2' ' HG2' ' A' ' 177' ' ' ARG . 74.5 m-70 -106.92 128.17 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.779 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -100.33 138.23 37.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.2 140.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.019 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.9 mm -106.54 129.73 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 tpt -82.03 104.5 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.3 t -92.92 163.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.75 164.18 26.93 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.377 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 17.9 t -49.54 -45.93 48.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 111.035 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.28 -3.97 1.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.228 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.72 18.68 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 22' ' ' SER . 72.3 t -73.4 -71.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.18 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.19 45.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -49.77 -48.2 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.383 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 31' ' ' THR . 98.0 p -63.91 -29.88 71.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.408 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.68 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.201 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -64.13 -24.87 67.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 28' ' ' SER . 74.5 m -71.36 -41.28 69.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.663 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.89 -44.59 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.479 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -57.84 -39.3 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.379 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.26 -25.58 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 tpp -82.32 -50.24 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -108.59 -9.94 15.27 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 23.3 t70 60.9 32.47 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 0.0 110.469 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -149.15 154.93 39.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -92.23 108.25 19.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.97 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.25 142.87 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.63 101.97 14.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.05 130.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -140.46 137.42 33.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.1 mm-40 -122.96 138.7 30.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 31.9 Cg_exo -58.87 153.68 49.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.313 2.009 . . . . 0.0 112.185 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -82.01 104.58 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -111.17 42.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 63.71 11.95 6.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.308 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.64 125.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.779 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.9 p -111.79 158.95 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -95.33 160.53 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -145.46 130.44 18.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -138.71 150.14 45.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -104.84 131.95 51.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.966 0.412 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -147.34 138.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -81.47 135.47 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.6 mt -133.35 108.25 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 54.25 30.73 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.26 -34.29 5.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.831 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -90.15 113.57 25.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.9 tt0 -84.06 118.94 24.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.642 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -116.68 173.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.247 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -109.6 142.75 40.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.441 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -114.74 128.03 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -113.26 117.08 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 31' ' ' THR . 62.9 mt -114.45 138.93 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -138.16 130.58 29.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.96 116.45 28.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.2 p -80.91 -20.16 42.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -174.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.407 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.88 0.372 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -59.29 -48.77 80.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.03 -34.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.48 -34.66 71.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -75.52 -33.53 60.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.728 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -79.31 -19.62 49.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.357 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.401 ' N ' HG11 ' A' ' 114' ' ' VAL . 57.9 ttt180 -83.54 -4.97 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.244 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -105.52 -1.67 24.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -117.69 157.11 15.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.815 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 44.9 mt-10 -104.79 -8.68 18.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -131.99 159.46 23.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -136.56 133.75 36.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.575 0.226 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.64 109.45 9.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.949 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.658 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 3.5 tp -83.51 132.21 34.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.718 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG13 HG13 ' A' ' 126' ' ' VAL . 26.4 t -136.91 139.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 18.4 p90 -157.23 146.96 20.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.3 m -86.89 153.71 21.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.526 HD13 ' HE ' ' A' ' 136' ' ' ARG . 10.9 pt -78.55 -40.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.161 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 95' ' ' ILE . 18.3 p -56.4 -27.11 55.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -109.25 86.79 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.0 -16.83 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.17 -27.05 60.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.208 0.527 . . . . 0.0 110.084 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.582 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 49.7 m -63.08 -47.82 81.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.493 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.57 -40.34 71.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.017 0.437 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 33.6 p -71.54 -51.59 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.691 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.148 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.3 p -57.06 -31.81 65.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.058 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.64 -44.21 91.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -60.81 -25.73 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.31 -41.95 66.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.56 -35.97 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -61.88 -35.43 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.39 -42.46 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.577 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.51 -26.27 66.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.868 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -57.06 -51.38 69.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 111.601 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.9 m -68.09 -24.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.045 0.45 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.1 mmtt -118.82 57.15 0.88 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.384 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.31 30.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.417 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.41 -49.52 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.158 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HA ' HD11 ' A' ' 121' ' ' ILE . 37.5 tt0 54.76 99.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.075 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.11 -43.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.822 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.06 81.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 118' ' ' GLU . 15.8 mm -88.9 109.73 32.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.594 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.58 97.22 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.458 2.105 . . . . 0.0 111.522 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.543 ' HB3' HG11 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -122.83 149.59 43.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.3 tp -158.61 125.54 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.218 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.649 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -102.92 143.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.996 0.427 . . . . 0.0 111.888 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.594 ' HB ' HG11 ' A' ' 168' ' ' VAL . 9.5 p -143.51 160.03 16.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.975 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 126' ' ' VAL . . . -116.45 136.97 13.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.105 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -107.93 -179.16 3.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.455 ' NZ ' HG21 ' A' ' 96' ' ' THR . 2.7 mmmp? 54.1 22.53 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -65.65 -8.62 21.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -4.42 7.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 81.24 1.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -12.58 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.652 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -93.89 -8.73 39.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -121.62 15.54 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.1 ttm105 -77.81 108.27 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.07 -32.77 18.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 95' ' ' ILE . 2.5 p -95.47 101.67 8.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.48 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 24.3 Cg_endo -61.93 131.68 36.14 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.143 1.895 . . . . 0.0 111.738 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -52.91 -41.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.5 -49.88 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.555 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.0 tt0 -72.59 -29.54 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.55 -28.57 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 31.7 mtt180 -73.85 -41.61 62.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.2 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -61.74 -45.52 93.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -47.6 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.949 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.649 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.97 -29.13 68.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.94 -32.25 73.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -51.9 -43.49 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.78 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -64.49 -24.93 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 27.41 5.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.543 HG11 ' HB3' ' A' ' 123' ' ' LEU . 31.4 m -128.49 -178.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.274 0.559 . . . . 0.0 112.193 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -120.06 144.91 47.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.102 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.5 t80 -113.63 138.27 50.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.228 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.87 153.73 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.401 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.4 p -149.68 163.03 39.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.991 0.425 . . . . 0.0 111.614 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -127.39 110.9 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.522 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.18 -8.99 9.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.567 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.61 -45.09 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 56.0 p -87.38 -5.71 58.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 34.96 40.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.011 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.67 -56.28 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.855 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.659 ' HB2' HG22 ' A' ' 157' ' ' THR . 91.1 m-20 -112.41 18.63 18.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 168' ' ' VAL . 6.3 p -65.6 -39.09 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.8 -15.29 61.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -59.9 -38.17 81.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.871 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.594 HG11 ' HB ' ' A' ' 126' ' ' VAL . 33.9 m -76.96 -29.37 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -72.66 -44.74 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -72.0 -45.36 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.2 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.38 -47.65 83.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.75 -37.77 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.7 ttp -58.47 -49.18 78.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -58.54 -34.62 71.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.3 mm-40 -63.6 -49.49 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 180' ' ' LYS . 71.6 mt -57.79 -32.11 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 49.1 mtp180 -74.55 -54.78 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.677 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 182' ' ' SER . 75.4 m -87.98 -59.41 2.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.7 tttt -58.57 -54.12 50.65 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 176' ' ' ILE . 65.1 tttm -65.93 -38.89 89.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.8 mmt -81.09 -12.55 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.78 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 178' ' ' THR . 88.6 p . . . . . 0 C--O 1.233 0.191 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.1 158.13 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -117.6 121.6 41.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.041 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -116.82 149.49 39.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 67.4 mttm -126.86 102.72 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.78 127.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HA3' ' A' ' 86' ' ' GLY . 25.6 mm -101.1 126.18 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.491 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.6 tpt -79.06 94.26 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -80.09 166.97 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.47 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 178.18 157.92 19.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.393 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 104' ' ' THR . 56.6 p -55.12 -49.74 70.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.49 -25.88 0.59 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.209 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.85 60.95 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.206 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.5 t -118.73 -69.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.693 0.283 . . . . 0.0 111.365 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.42 47.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 16.2 ptpt -54.37 -38.66 66.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 110.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 66.3 p -67.02 -29.8 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.161 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.4 65.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.061 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -62.53 -24.8 67.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 63.8 m -73.9 -39.08 64.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.752 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.93 -49.14 48.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.717 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.606 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.9 mm100 -53.73 -35.89 61.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.279 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.578 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.2 ttm -82.16 -50.24 9.25 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.04 -15.8 9.23 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.91 58.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.309 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -151.23 127.59 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.95 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -93.32 107.39 19.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.8 p -131.62 147.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.75 -13.58 61.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 40' ' ' VAL . 19.1 t70 -76.66 149.26 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -150.68 149.46 29.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -115.43 123.47 31.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.33 153.6 70.67 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.326 2.017 . . . . 0.0 112.178 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.9 m -117.42 127.23 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -105.65 -51.2 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.43 -2.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.911 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.37 136.93 37.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -115.09 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -113.6 141.2 47.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.303 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 41.4 ttp180 -145.99 136.0 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.81 172.23 17.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.534 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.86 128.59 56.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.15 137.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.877 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.53 139.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 HH11 ' A' ' 177' ' ' ARG . 53.5 tp -137.08 105.72 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 32.65 19.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.43 -33.52 6.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.359 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.82 114.16 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -85.44 130.78 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.76 149.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.7 tt -109.14 137.3 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.6 t70 -121.91 114.23 20.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.442 HG21 HG23 ' A' ' 31' ' ' THR . 71.7 mt -104.41 140.29 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 111.569 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -129.72 113.62 14.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.79 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -138.12 177.66 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.01 -171.48 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.314 179.645 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.867 0.365 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -46.69 -47.48 20.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.225 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -53.44 -35.77 60.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.82 -48.52 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -59.32 -50.06 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.411 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.82 -18.9 63.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.184 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -77.77 -35.77 51.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -81.32 1.1 34.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.47 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -116.4 160.03 13.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.838 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.67 -62.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.562 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.33 163.34 32.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.246 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 33.1 m-85 -136.9 143.07 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 0.0 111.055 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -134.03 110.66 9.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 8.4 tp -82.26 136.44 35.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.253 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 126' ' ' VAL . 26.9 t -135.52 134.57 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.5 p90 -152.31 154.67 36.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.474 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.444 ' OG ' HG13 ' A' ' 25' ' ' VAL . 52.5 m -100.98 149.56 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.024 0.44 . . . . 0.0 111.319 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 ' HE ' ' A' ' 136' ' ' ARG . 8.6 pt -75.43 -34.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.877 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -58.18 -40.62 81.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.672 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.26 100.45 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.693 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -62.83 -17.78 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.7 -26.82 60.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.445 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.1 m -63.69 -53.87 44.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.59 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.69 -38.92 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.833 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -71.41 -53.42 14.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.074 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.21 -43.44 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.147 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 93' ' ' PHE . 8.7 p -53.86 -37.42 63.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 110.645 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.35 67.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 45.9 mt-10 -62.0 -44.1 97.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -55.82 -31.27 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.433 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.51 -48.51 62.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.87 -40.22 72.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 66.5 mm-40 -60.23 -25.51 65.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.9 mt -69.79 -39.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.56 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.28 -26.39 66.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.724 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -51.12 -50.98 57.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.751 0.31 . . . . 0.0 111.762 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.1 m -69.67 -41.99 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.659 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.598 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.2 mmtt -93.23 31.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.313 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.94 -20.43 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.33 -19.29 22.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.91 177.46 6.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.34 -72.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -70.06 125.28 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.1 mm -123.57 104.37 34.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.312 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.96 123.42 12.56 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.422 2.081 . . . . 0.0 111.761 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 62.5 tp -144.28 156.34 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 tp -163.41 125.93 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -101.24 143.83 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 92' ' ' VAL . 13.0 p -140.38 148.12 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.94 131.43 10.55 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.908 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -100.34 -176.47 3.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 46.0 mmtm 56.84 23.4 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -60.2 -26.21 66.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.685 0.279 . . . . 0.0 111.479 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.26 -8.89 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 135' ' ' ARG . 50.2 mt -112.35 79.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.71 -29.15 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -76.79 -17.65 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.9 mtt180 -106.9 9.43 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.508 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.3 ttm105 -77.88 113.22 15.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -93.99 -30.33 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.03 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 72.6 t -104.92 107.86 59.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.416 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 25.0 Cg_endo -62.6 144.99 95.22 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.177 1.918 . . . . 0.0 111.375 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -55.68 -43.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.818 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.78 -49.58 74.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.64 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.61 -30.97 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.07 55.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.1 mtt180 -68.04 -44.51 76.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.375 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -61.19 -51.55 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.17 86.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.54 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.627 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.92 -32.57 72.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -52.82 -41.55 64.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -68.78 -22.58 64.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.86 31.97 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.443 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -133.37 -176.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.087 0.47 . . . . 0.0 111.409 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -125.41 133.09 52.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.793 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -98.18 142.72 29.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.165 0.507 . . . . 0.0 111.836 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.6 150.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.892 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.67 138.7 31.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.443 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.611 HG22 ' HB2' ' A' ' 164' ' ' ASN . 47.0 p -148.22 159.03 44.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -132.3 110.62 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.468 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.32 -9.68 2.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.479 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.6 p -90.19 -3.31 57.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.459 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? 33.6 40.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.57 0.543 . . . . 0.0 111.972 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -56.12 4.72 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.611 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.06 16.58 20.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.669 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.1 p -66.99 -42.08 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.703 0.287 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.89 -18.95 60.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -67.34 -31.74 72.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.338 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.7 m -73.11 -29.6 29.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 111.377 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -75.31 -45.21 41.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -72.01 -32.24 66.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.76 -53.86 23.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.043 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 176' ' ' ILE . 67.1 tp -64.07 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.5 ttm -54.35 -44.88 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -67.22 -38.67 85.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.14 -28.58 69.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 92.3 mt -72.2 -51.53 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.406 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.457 HH11 HD23 ' A' ' 57' ' ' LEU . 11.4 ptm180 -73.68 -25.59 60.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.94 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 56.6 m -88.6 -60.02 2.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -71.61 -54.83 9.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -60.34 -53.72 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -60.56 -20.31 60.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 0.0 111.654 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 111.035 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.67 168.82 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -134.17 107.45 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.995 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -107.62 152.4 24.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.8 mttt -129.55 139.91 51.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -121.27 131.74 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.556 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.6 mm -111.06 114.44 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.33 93.62 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.994 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 21' ' ' GLY . 10.8 p -103.9 163.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.32 -160.77 31.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.779 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.607 ' N ' HG22 ' A' ' 104' ' ' THR . 27.5 t -62.37 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.945 0.402 . . . . 0.0 111.047 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.83 -16.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.393 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.24 52.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.663 HG21 ' HA ' ' A' ' 93' ' ' PHE . 55.0 t -106.29 -37.78 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.64 53.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.722 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.686 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -73.7 -24.3 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.614 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.8 p -77.54 -29.43 52.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.36 -52.91 42.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.634 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 92' ' ' VAL . 2.0 mt -55.68 -25.74 41.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 28' ' ' SER . 41.2 m -68.47 -57.57 5.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.416 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.3 -29.43 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.4 mm100 -71.04 -43.68 67.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.393 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.73 -29.06 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 31' ' ' THR . 79.9 mmm -81.75 -47.61 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -97.52 -7.68 30.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 30.88 15.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.039 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -161.33 159.28 28.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.568 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.458 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 43.7 t80 -90.26 107.1 18.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.091 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -142.95 146.07 22.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -95.34 132.99 39.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.68 -42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.1 t80 59.69 98.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -145.85 108.55 4.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.37 139.96 67.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.247 1.964 . . . . 0.0 112.035 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -107.51 143.44 35.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -136.46 -30.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.433 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.53 -8.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.1 m-20 -73.49 134.19 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.015 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -133.99 159.17 41.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -99.11 163.26 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -151.07 144.69 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.717 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -163.85 173.4 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.84 127.22 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.8 147.26 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -90.65 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 57.2 tp -143.15 112.14 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 59.11 31.05 20.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.01 80.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.81 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.74 114.08 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.72 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -78.71 135.21 37.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.33 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.89 146.83 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.914 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.02 121.56 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -107.43 140.02 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.326 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.7 t70 -118.55 120.5 37.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.219 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.474 HG13 ' SD ' ' A' ' 35' ' ' MET . 19.8 mm -95.18 137.7 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.32 99.76 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.355 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.495 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 7.2 p-10 -92.83 140.79 29.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -108.78 -177.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.27 168.64 15.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.549 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.713 0.292 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.92 -36.44 72.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.411 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.01 -36.9 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.06 -43.1 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.674 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -62.61 -44.61 95.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -63.76 -25.28 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -84.38 -16.55 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -86.75 6.52 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.378 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.556 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.97 173.95 24.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.8 -31.01 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.543 ' HA2' ' HB2' ' A' ' 122' ' ' PRO . . . -104.52 156.15 17.21 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.562 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -136.12 134.64 38.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.8 mt -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.037 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.25 123.05 28.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.947 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 30' ' ' LEU . 15.5 t -127.42 138.73 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HA ' HG21 ' A' ' 25' ' ' VAL . 16.6 p90 -151.06 140.44 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.562 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 t -81.46 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.013 0.435 . . . . 0.0 111.463 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD13 ' HE ' ' A' ' 136' ' ' ARG . 29.1 pt -73.43 -33.51 40.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.568 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 132' ' ' LEU . 67.8 p -62.99 -22.28 66.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.16 0.505 . . . . 0.0 109.886 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -124.41 87.66 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -59.46 -16.37 23.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.8 -27.02 68.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.086 0.47 . . . . 0.0 110.27 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 104' ' ' THR . 23.4 m -73.34 -39.23 65.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.787 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -50.91 -49.56 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.875 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -72.29 -48.8 39.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.799 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.7 67.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.661 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 91' ' ' LEU . 35.7 p -62.56 -31.42 72.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.814 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.42 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.232 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.78 -41.33 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.539 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.68 -24.7 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -49.81 -49.13 49.94 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.47 -34.0 71.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.77 -38.27 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.94 -43.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.506 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -26.23 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.938 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -51.18 -50.22 59.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.0 m -74.15 -42.16 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.691 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.577 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.8 mmtt -93.95 38.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.839 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.63 -10.96 56.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.398 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -101.61 -10.94 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -98.97 156.04 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -97.37 -66.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -79.38 115.91 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.5 mm -109.82 109.57 59.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 49.1 Cg_exo -55.65 106.29 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.31 2.007 . . . . 0.0 112.012 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.2 tp -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.966 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.481 ' HB3' HD23 ' A' ' 90' ' ' LEU . 45.9 tp -160.66 113.4 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.655 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.8 p -83.4 144.5 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.617 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.446 HG12 HG22 ' A' ' 92' ' ' VAL . 4.3 p -148.27 161.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.34 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.58 128.97 6.93 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.869 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -97.11 -176.73 3.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.373 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 96' ' ' THR . 26.5 mmmt 57.0 25.72 11.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.4 t -63.37 -19.52 64.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.227 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.14 -9.32 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.583 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.5 mp -109.91 85.02 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.11 -43.04 62.26 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.552 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.83 -6.74 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.861 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.583 ' HD3' HD23 ' A' ' 132' ' ' LEU . 18.4 mtp180 -118.85 3.65 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HE ' HD13 ' A' ' 95' ' ' ILE . 40.2 ttm180 -69.68 107.91 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.477 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.04 -32.79 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 95' ' ' ILE . 1.8 p -95.43 104.15 14.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.11 126.52 18.89 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.177 1.918 . . . . 0.0 111.695 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.8 p -50.38 -41.27 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.316 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.09 -48.58 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.507 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -69.9 -43.31 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.51 69.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 45.6 mtt180 -72.21 -43.46 64.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.6 t -58.42 -38.82 78.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -75.98 -47.9 23.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.89 -41.59 67.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.879 0.371 . . . . 0.0 111.559 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.69 -30.83 67.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.052 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.31 -44.55 54.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 33.0 m0 -67.55 -26.26 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.0 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.0 15.67 17.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.733 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.66 -175.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -124.78 128.65 49.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.467 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.579 ' HA ' HG13 ' A' ' 125' ' ' VAL . 44.8 t80 -94.71 139.87 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 111.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.03 154.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.456 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.13 146.83 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.714 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.5 p -151.37 152.74 33.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.468 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.7 m -121.35 110.31 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.56 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.4 -2.77 14.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.521 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.08 -55.55 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.8 t -85.7 -1.31 57.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.08 38.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.206 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.63 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.757 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -108.47 16.1 23.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.77 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -68.79 -36.89 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.92 -15.04 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -60.72 -39.8 89.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 165' ' ' VAL . 31.3 m -72.05 -26.78 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -74.4 -46.34 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -72.49 -43.68 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.537 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.03 -49.7 75.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.12 -32.47 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 50.6 ttm -57.56 -39.62 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' HD21 ' A' ' 57' ' ' LEU . 72.7 mtm180 -69.43 -38.5 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.21 -47.56 80.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.321 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 83.0 mt -57.4 -34.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.375 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 80.0 mtp180 -75.93 -51.23 12.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.075 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 182' ' ' SER . 37.5 m -87.4 -59.15 2.33 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -61.93 -54.14 46.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.8 tttm -62.93 -54.74 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -62.52 -12.71 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.573 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' THR . 44.2 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.54 177.05 6.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.71 103.53 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -106.44 121.56 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.788 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.5 mttt -100.64 127.1 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.13 136.89 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -112.81 125.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.285 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.443 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -67.51 91.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.378 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.52 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.87 -158.29 28.97 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.418 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 104' ' ' THR . 73.2 p -66.48 -48.35 70.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.127 0.489 . . . . 0.0 110.347 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.17 32.74 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.151 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 25' ' ' VAL . . . 156.72 -96.81 0.16 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.789 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' A' ' 93' ' ' PHE . 5.3 m 47.61 14.85 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.139 0.576 . . . . 0.0 112.451 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.16 35.77 37.22 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.975 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.0 ptpt -59.87 -28.93 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 54.4 p -72.4 -28.76 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.519 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.77 -50.3 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.616 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.713 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -61.19 -25.3 66.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 66' ' ' ILE . 28.3 m -71.47 -42.82 67.66 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.432 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.726 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.2 mm100 -55.54 -41.33 73.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.36 . . . . 0.0 111.39 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.26 -25.38 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.475 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.4 ttm -82.18 -49.76 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.33 -2.8 11.06 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.9 m-20 56.22 41.61 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.47 140.88 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.624 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -81.2 118.53 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -126.42 145.94 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.33 -34.74 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.144 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -59.07 120.21 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -121.08 146.03 47.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -134.26 100.47 12.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.52 156.55 11.06 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.529 2.153 . . . . 0.0 112.514 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -125.04 149.05 48.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.289 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -85.64 -51.19 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.738 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.01 -1.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.11 136.59 41.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.8 p -110.87 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 43.3 m-85 -109.6 150.46 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.491 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -139.42 144.88 38.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.427 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -161.85 155.54 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.539 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.51 131.57 40.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.025 0.44 . . . . 0.0 111.418 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -146.37 137.37 18.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.2 p -89.72 144.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.077 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 tp -138.69 106.4 5.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 56.63 31.71 19.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.03 -37.4 3.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.592 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -87.53 114.31 24.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.3 tt0 -82.67 116.26 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.72 143.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -81.52 128.41 33.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 tt -105.5 135.86 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.524 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 17.2 t70 -125.96 115.79 20.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 31' ' ' THR . 74.0 mt -103.6 131.09 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 68' ' ' ASP . 8.2 tp -137.77 131.29 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 67' ' ' LEU . 28.9 t70 -171.31 154.33 3.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.458 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 m -151.19 73.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.77 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.548 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.794 179.513 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.895 0.378 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -62.9 -34.61 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -52.38 -35.16 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -70.83 -46.92 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.11 -29.55 70.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -77.06 -28.58 54.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.9 p -87.86 12.03 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HG12 ' A' ' 18' ' ' ILE . . . -128.94 134.0 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.59 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.04 -51.98 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -101.6 170.06 20.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.412 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -136.34 137.99 41.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.692 0.282 . . . . 0.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 124' ' ' LEU . 33.6 mt -123.21 104.4 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -82.74 128.86 34.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.651 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -135.01 139.69 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.387 . . . . 0.0 112.041 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.774 ' HB3' HG21 ' A' ' 104' ' ' THR . 25.6 p90 -146.78 162.97 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 49.6 m -99.24 132.44 44.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.458 HD11 ' O ' ' A' ' 129' ' ' LYS . 21.2 pt -64.02 -31.94 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.3 t -81.81 -3.14 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 15.6 mm-40 -123.27 90.35 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.16 -15.98 58.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.37 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.36 -26.84 62.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -77.57 -45.36 25.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.487 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -49.7 -40.16 39.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.722 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.5 p -72.61 -54.96 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -58.47 -43.12 88.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.774 HG21 ' HB3' ' A' ' 93' ' ' PHE . 21.3 p -54.13 -40.61 67.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 110.181 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.87 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.887 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 11.1 tp10 -70.65 -29.15 65.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.966 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.03 -27.58 54.58 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -52.0 -43.17 63.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.55 -29.96 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.77 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -70.1 -32.63 70.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.98 -43.99 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.297 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.53 -26.61 66.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.5 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -62.23 -50.5 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.347 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.98 -11.23 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.061 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.7 mmtt -127.05 58.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.97 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.05 22.63 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.681 -179.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -137.55 -45.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.003 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 180' ' ' LYS . 42.9 tptt -157.89 78.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.001 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.21 117.75 20.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.982 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.492 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.1 Cg_endo -86.5 100.8 0.58 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.511 2.14 . . . . 0.0 111.73 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.1 tp -111.39 166.48 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.067 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.5 ' HB3' HD23 ' A' ' 90' ' ' LEU . 54.3 tp -166.43 122.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.405 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.574 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -101.13 142.82 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 111.546 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 168' ' ' VAL . 16.4 t -143.56 150.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.664 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.68 128.15 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -100.21 -167.0 1.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.529 0.204 . . . . 0.0 110.475 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 95' ' ' ILE . 11.2 mmmm 62.38 18.23 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 69.5 m -57.7 -26.49 61.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.44 -19.19 13.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 135' ' ' ARG . 26.1 mt -101.38 79.76 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.507 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.84 -14.44 61.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.32 -18.01 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -103.21 4.78 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.78 107.8 9.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.365 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -94.62 -29.29 14.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.7 t -92.84 110.27 44.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 125.09 17.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.973 1.782 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.98 -45.34 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.335 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 16.9 mm-40 -60.08 -42.46 94.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.933 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -31.0 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.65 -31.44 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.5 mtt180 -71.83 -39.61 69.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -63.16 -50.04 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.54 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.0 OUTLIER -62.37 -48.15 81.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 111.181 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.99 -31.98 52.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.6 -48.55 63.19 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.729 0.3 . . . . 0.0 110.75 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.54 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 19.6 m0 -66.69 -23.42 66.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.051 0.453 . . . . 0.0 110.323 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.32 27.32 5.88 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.779 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.88 -175.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 111.778 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -131.1 129.55 42.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.574 ' HD1' HG22 ' A' ' 125' ' ' VAL . 43.9 t80 -94.97 141.29 28.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.28 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.06 154.84 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.686 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.3 145.82 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.304 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 164' ' ' ASN . 26.6 p -152.8 174.9 13.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 111.854 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -152.87 110.61 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.73 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -65.46 -5.67 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -91.16 -37.75 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -96.62 -5.85 38.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.15 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.543 0.527 . . . . 0.0 111.659 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.27 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.603 ' HB2' HG22 ' A' ' 157' ' ' THR . 71.5 m-20 -111.79 12.09 20.94 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -59.45 -41.57 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.85 -21.44 60.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.113 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -69.09 -30.92 69.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.832 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -72.69 -30.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.357 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -74.68 -45.27 45.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.18 -33.08 67.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.93 -47.44 80.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.361 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.8 tp -72.59 -32.43 65.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -55.46 -41.05 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.55 -34.35 75.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 14.0 mm-40 -63.62 -48.98 75.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.3 mt -57.07 -32.18 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 181' ' ' MET . 78.4 mtp180 -74.72 -58.45 3.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 182' ' ' SER . 59.4 m -87.8 -58.93 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 55.0 tttp -55.83 -54.06 49.2 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 88.0 tttt -64.4 -58.26 6.97 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -59.88 -14.05 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 178' ' ' THR . 43.2 t . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.819 0.342 . . . . 0.0 110.605 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.22 178.42 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.946 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -140.47 105.34 4.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -106.23 131.59 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -111.81 106.69 15.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 111.457 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.68 135.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.086 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.476 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.31 139.47 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.47 89.92 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.0 p -97.71 153.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 27' ' ' LYS . . . -173.29 -160.61 22.11 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.576 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 p -69.88 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.12 33.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.21 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.01 60.72 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 93' ' ' PHE . 25.0 t -116.68 -43.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.04 48.44 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 21' ' ' GLY . 20.6 mmtp -55.53 -39.98 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.096 0.474 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.2 p -69.64 -29.74 67.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.579 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.62 -53.23 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -64.33 -24.18 67.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' SER . 77.6 m -73.93 -38.69 64.19 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.292 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.69 -49.27 41.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.706 HE21 ' HG2' ' A' ' 162' ' ' ARG . 5.9 mm100 -54.59 -40.62 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.733 0.301 . . . . 0.0 111.165 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -72.71 -25.0 61.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.639 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.7 tpp -81.16 -49.57 10.66 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -118.12 3.59 12.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.4 m-20 55.15 35.6 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HA ' ' NH1' ' A' ' 162' ' ' ARG . 40.5 tt0 -148.12 150.9 34.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -92.46 124.03 36.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.04 146.99 32.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -82.68 -38.22 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.2 173.85 12.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 111.303 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -162.29 -176.22 4.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 19.7 mm-40 -126.91 135.91 28.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.8 Cg_exo -60.38 152.99 63.26 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.355 2.037 . . . . 0.0 111.983 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 m -110.42 124.97 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.231 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.25 -45.48 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.54 -9.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.59 130.16 40.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -111.79 153.75 26.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 65.3 m-85 -96.21 120.66 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.725 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 49.4 ttp180 -128.08 149.59 50.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -164.73 164.71 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -100.9 126.55 47.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.08 157.17 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.226 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.2 p -105.62 143.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -141.43 111.73 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.04 31.12 19.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.0 15.18 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.926 -0.655 . . . . 0.0 112.649 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -89.97 114.15 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -83.67 120.03 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.07 175.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.08 147.89 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.9 tt -126.11 134.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.7 t70 -123.15 114.91 20.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG21 HG23 ' A' ' 31' ' ' THR . 69.3 mt -104.93 137.56 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.61 110.89 11.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.13 146.45 35.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -138.79 114.42 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.34 177.43 5.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.751 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -46.27 -43.43 15.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.207 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 10.1 m-20 -53.81 -43.5 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.93 -44.9 78.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.442 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -60.3 -33.23 72.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB2' HG11 ' A' ' 114' ' ' VAL . 48.8 m-85 -80.08 -24.62 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 98.2 mtt180 -74.96 -22.68 58.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.1 p -93.95 10.21 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -133.81 159.79 23.83 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.88 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -103.93 -54.7 2.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.61 161.35 29.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.19 138.3 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 168' ' ' VAL . 1.8 tt -131.95 106.28 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -83.0 132.82 35.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.024 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.71 137.91 48.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.512 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.1 p90 -152.03 149.52 28.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.656 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.51 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 53.4 m -74.48 141.68 44.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 96' ' ' THR . 28.0 pt -76.92 -36.26 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.211 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 95' ' ' ILE . 4.9 t -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 0.6 OUTLIER -101.43 94.62 6.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.706 179.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -14.99 50.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.13 -27.22 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 77.6 p -77.95 -43.43 29.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.702 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -56.65 -34.67 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.001 0.429 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -72.3 -53.76 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.998 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.55 91.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.663 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.0 p -56.99 -31.64 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.7 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.64 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.75 -46.67 81.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.034 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.28 -24.8 63.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.545 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.5 tmt_? -51.38 -54.67 24.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.214 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.07 -29.79 66.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.537 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 78.6 mt-30 -63.67 -31.0 72.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.988 0.423 . . . . 0.0 110.36 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.03 -39.15 82.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.607 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.99 -26.92 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -57.24 -50.6 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.701 -179.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.622 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.15 -22.96 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.83 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.622 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -121.61 39.4 3.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.05 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.462 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.66 -37.77 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.42 135.31 34.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.88 -37.18 40.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.2 mptm? -89.48 128.72 36.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.8 mm -126.67 105.71 23.45 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 35.5 Cg_endo -65.2 106.4 0.81 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.329 2.019 . . . . 0.0 112.11 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -126.87 160.44 30.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.4 OUTLIER -168.43 127.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.78 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.564 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -105.66 143.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.978 0.418 . . . . 0.0 111.665 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 168' ' ' VAL . 13.7 t -143.49 138.5 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.94 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.78 134.39 11.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.909 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -103.3 -178.29 3.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 110.382 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? 58.54 24.2 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.426 ' HA ' HD13 ' A' ' 95' ' ' ILE . 36.8 t -58.44 -17.12 18.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.463 HD13 ' HD2' ' A' ' 135' ' ' ARG . 38.8 mt -94.91 82.27 3.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.29 -20.0 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -87.3 -35.88 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.7 mtt180 -87.53 5.12 40.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.8 ttm105 -65.69 108.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 23.9 tp60 -87.43 -25.96 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.2 t -104.21 100.15 20.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.031 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.5 Cg_exo -53.81 132.3 48.77 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.087 1.858 . . . . 0.0 111.394 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -50.43 -44.7 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.069 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 140' ' ' VAL . 18.6 mm-40 -58.8 -49.58 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.129 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.72 -31.49 70.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.854 0.359 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.11 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 91.7 mtt180 -72.17 -33.58 67.81 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 -46.54 80.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.75 64.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.767 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.58 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.699 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.46 -31.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.53 -48.67 65.91 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.777 0.323 . . . . 0.0 110.983 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.481 ' HB2' HG22 ' A' ' 152' ' ' VAL . 9.5 m0 -69.25 -14.27 62.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 7.2 51.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 150' ' ' TRP . 2.9 m -107.15 168.47 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.345 0.593 . . . . 0.0 112.419 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.32 135.09 53.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.484 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.564 ' HD1' HG22 ' A' ' 125' ' ' VAL . 20.1 t80 -100.92 143.78 30.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.535 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.62 152.78 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.47 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.4 136.61 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.675 HG22 ' HB2' ' A' ' 164' ' ' ASN . 81.9 p -147.83 153.74 39.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.997 0.427 . . . . 0.0 111.701 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.4 t -130.7 111.7 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.31 -14.94 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -83.12 -29.3 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 73.0 p -95.82 -18.42 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.706 ' HG2' HE21 ' A' ' 33' ' ' GLN . 1.0 OUTLIER 47.35 32.12 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.27 4.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' A' ' 157' ' ' THR . 69.3 m-20 -112.25 10.77 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.548 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.6 t -59.19 -50.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.3 -14.66 62.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.969 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 6.0 tmmm? -74.29 -30.83 62.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.821 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 126' ' ' VAL . 3.3 m -74.49 -27.34 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.629 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.8 -44.48 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -72.03 -29.34 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.316 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 124' ' ' LEU . 12.9 t70 -67.4 -43.37 81.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 110.8 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 124' ' ' LEU . 64.5 tp -72.65 -32.55 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 46.1 ttm -55.06 -44.47 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 91.5 mtt180 -58.06 -42.17 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.96 -45.76 92.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 68.9 mt -59.17 -32.27 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.252 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.465 ' HE ' ' HA ' ' A' ' 174' ' ' ARG . 53.4 mtm180 -74.69 -54.34 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.843 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 182' ' ' SER . 96.6 m -87.24 -59.19 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -61.0 -53.69 54.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtm? -61.89 -55.62 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.4 -13.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.64 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 178' ' ' THR . 46.7 t . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.24 163.88 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -139.77 109.0 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.804 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.52 148.8 35.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 91.4 mttt -124.2 124.03 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.86 131.26 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.8 mm -99.83 111.75 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.532 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.04 102.44 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.4 p -115.1 159.82 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 168.17 85.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.876 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 61.01 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.333 . . . . 0.0 111.414 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.27 -31.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.505 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.98 55.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 94' ' ' SER . 83.9 t -111.78 -65.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.06 41.02 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -50.61 -41.38 54.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.917 0.389 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 87.0 p -66.55 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.86 -52.26 66.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.929 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -65.39 -25.18 67.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 90.1 m -67.16 -46.33 74.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.096 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.42 -42.92 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.0 mm100 -57.41 -37.06 72.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.419 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -72.24 -25.16 61.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.9 tpp -81.84 -49.57 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.06 -9.18 14.39 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.2 m-20 57.25 32.29 21.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -146.7 135.91 22.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -91.7 108.18 19.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.5 141.54 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.17 106.35 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -147.36 174.72 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -157.44 106.6 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -122.06 103.9 38.98 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.88 124.7 13.51 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.219 1.946 . . . . 0.0 112.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.2 m -89.85 123.57 33.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -114.97 -41.07 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -14.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.05 127.09 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.527 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.0 p -113.09 174.63 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 48.9 m-85 -108.38 145.77 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -142.03 133.36 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -154.72 144.97 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 54.4 mttp -94.44 124.54 38.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.87 142.26 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -85.99 140.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' A' ' 174' ' ' ARG . 55.6 tp -147.99 118.69 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 58.28 31.55 20.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.744 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 34.94 34.24 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.715 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.61 114.99 4.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.761 0.315 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.1 tt0 -77.63 117.43 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.8 145.1 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -88.76 125.91 35.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -108.92 135.21 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.8 t70 -117.33 113.61 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.1 mt -102.67 139.69 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.9 OUTLIER -136.68 108.12 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.0 136.26 33.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.1 p -106.38 160.5 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.71 -163.59 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.064 179.482 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.966 0.412 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -50.9 -37.62 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.368 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.15 -36.19 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.185 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -57.58 -42.97 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.358 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -66.75 -43.17 84.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.617 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 114' ' ' VAL . 59.2 m-85 -61.31 -22.08 64.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -84.12 -19.05 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.9 t -81.42 3.31 24.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.449 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -153.72 157.26 27.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -97.6 -38.93 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.33 162.05 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -138.3 125.16 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.732 0.301 . . . . 0.0 110.735 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -111.87 102.85 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.716 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD21 ' HB ' ' A' ' 104' ' ' THR . 15.3 tp -83.77 133.27 34.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.015 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' HB ' ' A' ' 126' ' ' VAL . 66.3 t -142.31 121.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 23.3 p90 -119.12 150.53 39.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.822 0.344 . . . . 0.0 110.44 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HG13 ' A' ' 25' ' ' VAL . 15.1 t -89.99 141.41 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 21.7 pt -77.64 -27.41 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 p -73.9 -20.69 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.528 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 45.9 mt-10 -123.3 104.57 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -63.38 -16.45 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.234 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 11.8 pt-20 -69.99 -26.69 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.039 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -71.68 -53.5 13.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.161 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.64 -39.76 37.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.608 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.5 p -73.18 -53.97 9.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.38 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.51 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 93' ' ' PHE . 13.7 p -61.17 -31.86 71.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.0 -42.6 57.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.79 -38.8 89.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.516 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.57 -23.92 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.966 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' A' ' 150' ' ' TRP . 43.5 mtp180 -48.27 -50.85 28.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.88 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.28 -34.05 76.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.34 -38.19 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.85 -25.4 65.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.955 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -49.81 -51.17 41.67 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.608 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -66.46 -52.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.524 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -86.37 51.64 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -41.98 40.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -53.71 -45.65 70.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.947 0.403 . . . . 0.0 110.148 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 121' ' ' ILE . 31.7 tt0 57.1 104.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.848 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -132.59 -52.56 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.708 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -146.67 78.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.027 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 118' ' ' GLU . 13.8 mm -79.16 112.43 27.98 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.75 127.51 9.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.701 2.267 . . . . 0.0 111.454 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 tp -148.48 150.58 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 111.608 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.2 tp -159.31 123.9 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.863 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.669 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.1 p -97.97 143.34 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.986 0.422 . . . . 0.0 111.895 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' A' ' 92' ' ' VAL . 12.0 t -141.2 155.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.814 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.31 134.28 11.47 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.252 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.13 -174.86 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.412 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.3 mmtp 55.83 22.81 5.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 t -58.84 -17.55 24.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.309 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -76.31 11.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -132.38 76.31 1.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.51 -20.27 61.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -83.31 -24.71 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.5 mtt180 -103.71 0.25 30.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -62.44 107.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.51 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -89.02 -27.51 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -102.73 103.58 33.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.09 130.08 37.66 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.135 1.89 . . . . 0.0 111.357 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -52.3 -45.75 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.356 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.7 mt-10 -60.44 -49.33 77.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.017 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.97 -27.74 69.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.65 56.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.768 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.3 mtt180 -68.8 -40.4 79.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 t -64.13 -51.21 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.308 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -39.8 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.804 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.669 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.94 -37.82 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.248 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.67 -43.25 72.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CE2' ' HD2' ' A' ' 108' ' ' ARG . 13.1 m0 -70.44 -0.34 8.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.198 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.85 30.03 53.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 160.62 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 111.349 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -102.17 129.64 48.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.92 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.59 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.0 t80 -95.14 145.48 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.043 0.449 . . . . 0.0 111.411 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.58 151.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.82 146.55 24.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.5 p -152.64 149.15 28.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.943 0.402 . . . . 0.0 111.545 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.4 p -115.93 110.52 19.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.557 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.609 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -87.61 -47.31 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.4 p -96.66 -2.31 44.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 33.84 45.21 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.618 0.574 . . . . 0.0 111.763 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.31 -55.65 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.297 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -112.06 14.54 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.597 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.5 p -66.82 -32.8 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.46 -26.11 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -61.64 -34.7 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.877 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -73.4 -31.97 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.685 0.278 . . . . 0.0 111.545 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -74.45 -43.25 57.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.731 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -71.72 -33.46 68.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.063 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.45 -53.04 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.23 -32.39 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.8 ttm -54.89 -47.33 74.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 57' ' ' LEU . 79.8 mtp180 -62.97 -34.46 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.32 -46.06 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 69.9 mt -59.11 -32.11 47.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.82 -51.67 13.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.677 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 182' ' ' SER . 92.9 m -87.25 -58.97 2.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -62.1 -53.8 50.3 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtt? -61.13 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.642 0.258 . . . . 0.0 111.454 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.2 mmt -72.43 -12.66 61.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.412 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t . . . . . 0 C--N 1.331 -0.204 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.23 130.67 47.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -111.79 111.47 22.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -104.9 141.93 35.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.51 105.61 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.71 131.97 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -94.18 135.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.498 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 5.1 tpt -87.82 89.28 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.7 p -107.19 160.6 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.05 82.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.78 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 63.11 -83.26 0.02 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.974 0.416 . . . . 0.0 111.022 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.71 -85.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.119 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 67.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.107 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 93' ' ' PHE . 97.9 t -109.72 -57.62 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 154.38 31.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.173 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 81.2 mttt -46.97 -43.12 18.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.432 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.475 ' O ' ' HB ' ' A' ' 31' ' ' THR . 95.0 p -69.78 -30.27 67.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.477 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -52.74 63.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.312 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.634 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -64.08 -24.79 67.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 28' ' ' SER . 94.8 m -69.86 -46.72 64.93 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.683 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.05 -40.78 74.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.398 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.14 -39.84 79.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -72.36 -24.93 61.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.498 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -79.17 -49.36 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -109.8 -3.04 16.95 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 55.52 32.01 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.787 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.98 148.06 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -94.56 110.63 22.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -134.13 143.74 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.82 104.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -143.83 172.19 13.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -162.04 102.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -121.55 99.39 45.23 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.4 156.58 45.56 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.409 2.073 . . . . 0.0 112.064 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 m -70.59 96.08 1.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 9.9 mmpt? -98.06 36.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 65.93 7.03 4.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.78 125.86 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m -100.6 160.46 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -98.95 147.2 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.559 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -143.73 138.64 28.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.936 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -152.33 137.17 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -89.08 119.7 29.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.381 . . . . 0.0 111.125 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.2 144.11 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.4 p -79.67 144.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.455 HD21 ' HG2' ' A' ' 174' ' ' ARG . 52.0 tp -140.79 109.27 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.757 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 56.22 31.13 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.24 -30.49 9.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.7 119.05 36.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.5 tt0 -85.38 131.13 34.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.224 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.49 148.93 26.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -85.43 135.35 33.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -110.28 140.76 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 14.5 t70 -122.04 114.16 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 HG23 ' A' ' 31' ' ' THR . 68.0 mt -108.55 129.8 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.01 105.37 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.301 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -72.27 146.47 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.211 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.9 p -123.76 112.09 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.73 175.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.894 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.495 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 43.0 mt . . . . . 0 CA--C 1.527 0.062 0 CA-C-O 120.943 0.401 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -57.63 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.303 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.495 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 95.9 m-20 -52.29 -34.49 46.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.541 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.25 -42.47 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.559 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -66.28 -14.24 61.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.628 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.37 -29.03 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 111.191 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.1 p -85.36 10.33 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.6 146.23 18.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.626 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -93.15 -48.41 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.611 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.4 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.296 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 34.7 m-85 -132.26 131.84 42.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.14 107.33 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.703 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.72 129.11 34.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 126' ' ' VAL . 21.9 t -135.88 119.29 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.737 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.701 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -132.54 155.8 47.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.946 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -97.52 151.4 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.475 HD13 ' HE ' ' A' ' 136' ' ' ARG . 21.8 pt -78.38 -37.5 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.0 p -60.49 -28.2 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.547 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.68 99.48 8.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -63.02 -17.05 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.93 -26.65 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.0 p -69.79 -51.6 32.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.75 -36.4 67.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.276 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.1 p -72.9 -54.03 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.863 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.82 -35.28 76.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.703 ' HB ' HD21 ' A' ' 91' ' ' LEU . 3.6 p -59.58 -39.53 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.13 -27.7 63.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.826 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -72.78 -32.75 65.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.055 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.69 -25.1 53.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -51.57 -47.56 63.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.036 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.05 -28.22 67.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.1 -43.23 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.304 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.27 -26.28 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -51.51 -50.63 59.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 111.58 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 115' ' ' LYS . 12.2 m -73.37 -13.74 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.401 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.6 mmtt -120.17 40.87 3.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.98 3.34 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.506 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.05 -27.71 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.22 -178.83 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -128.48 -58.6 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -68.63 107.09 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.36 103.65 46.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.36 128.38 25.98 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.116 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 54.2 tp -149.16 156.53 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.0 tp -162.09 133.24 5.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.269 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -108.23 143.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 111.837 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 92' ' ' VAL . 7.2 p -147.3 147.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.84 128.51 9.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.106 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -99.09 -178.46 3.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.797 0.332 . . . . 0.0 110.315 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm 54.63 20.1 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -62.66 -11.68 18.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.19 -5.91 11.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.445 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.5 mt -117.66 78.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.72 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.3 -24.01 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.513 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -83.43 -6.49 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.1 mtt180 -124.98 12.89 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.427 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.475 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.6 ttm180 -75.67 108.31 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.483 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -80.97 -34.69 32.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.542 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -97.95 109.99 53.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.348 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.69 135.69 70.92 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.159 1.906 . . . . 0.0 111.542 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -55.04 -46.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.625 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 140' ' ' VAL . 7.5 pt-20 -62.84 -30.02 71.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.92 -31.36 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.39 51.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.478 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 81.7 mtt180 -66.43 -40.63 89.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.323 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -66.46 -52.42 46.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.548 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -46.46 88.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.633 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -67.91 -34.21 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.47 -31.98 69.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.56 -29.36 16.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.46 31.83 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.073 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.13 -177.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 111.498 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -121.38 146.82 46.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.811 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 125' ' ' VAL . 45.2 t80 -112.91 135.99 53.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 0.0 111.777 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.26 155.17 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.218 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -88.85 150.56 22.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 164' ' ' ASN . 16.8 p -151.75 169.19 22.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.21 0.529 . . . . 0.0 111.818 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.9 t -148.3 116.42 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.406 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.68 -5.46 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.546 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -94.69 -37.86 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 68.7 p -97.31 -11.73 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 35.25 38.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.56 5.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.168 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 157' ' ' THR . 25.8 t-20 -104.28 1.12 30.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.633 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.475 HG23 HD12 ' A' ' 30' ' ' LEU . 12.6 p -56.59 -44.61 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.807 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.449 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.99 -20.57 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 13.6 tmtt? -60.48 -41.45 94.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.619 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 165' ' ' VAL . 27.2 m -72.9 -28.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.696 0.284 . . . . 0.0 111.437 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.9 -46.29 62.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.455 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -71.61 -40.19 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.601 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.42 -53.73 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 124' ' ' LEU . 54.1 tp -62.71 -33.79 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.9 ttm -55.89 -45.23 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.455 ' HG2' HD21 ' A' ' 57' ' ' LEU . 75.7 mtm180 -69.09 -34.36 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.729 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.87 -29.2 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.506 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 94.8 mt -72.8 -54.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.614 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.6 ptm180 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.829 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.4 m -88.21 -59.6 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -71.31 -54.33 11.19 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.4 tptt -60.38 -56.16 24.86 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.7 mmt -57.23 -17.4 11.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.241 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.967 -179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.733 0.302 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 160.24 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.36 112.52 15.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -107.25 117.67 34.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.45 130.66 44.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.351 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.61 108.13 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.083 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.1 tpt -64.34 94.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.6 p -115.76 159.0 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.43 85.98 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.609 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 104' ' ' THR . 28.6 t 61.79 -84.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.51 -62.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.92 55.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -101.79 -65.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.65 33.84 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 5.6 ptpp? -50.71 -40.45 54.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.181 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.2 p -62.1 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.85 -51.72 63.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.596 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.67 -25.49 67.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.544 HG23 HG21 ' A' ' 66' ' ' ILE . 52.7 m -69.84 -46.01 66.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.488 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.04 -33.37 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.824 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.582 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.4 mm100 -69.16 -33.54 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.572 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -73.06 -46.13 53.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttm -82.45 -50.05 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.62 -23.73 17.5 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 58.04 42.12 23.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 109.94 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.15 127.54 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.881 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -72.14 105.84 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.743 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 42' ' ' ASP . 48.7 t -131.01 144.24 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.191 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.84 -31.6 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.504 ' H ' HG12 ' A' ' 40' ' ' VAL . 13.5 m-20 -60.24 161.01 7.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -158.53 -178.07 7.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.43 126.39 11.65 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.72 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -57.5 141.18 95.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.461 2.108 . . . . 0.0 112.598 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -126.58 131.8 51.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -126.42 -34.08 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.37 -14.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.14 127.53 33.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' HD23 ' A' ' 67' ' ' LEU . 79.1 p -118.09 174.25 6.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -111.41 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.744 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -151.17 139.26 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -155.83 154.14 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -100.21 122.64 43.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.08 137.8 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -70.28 138.8 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 HH11 ' A' ' 177' ' ' ARG . 0.1 OUTLIER -131.92 103.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 54.01 31.28 13.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.05 -39.1 3.01 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.85 115.97 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 111.209 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.2 tt0 -75.58 119.35 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.839 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.7 146.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 148.24 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -127.55 133.32 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.04 115.6 29.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.775 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.544 HG21 HG23 ' A' ' 31' ' ' THR . 23.3 mm -95.87 124.92 48.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 50' ' ' SER . 1.2 tm? -121.83 103.73 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.645 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.63 136.62 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 89.9 m -146.37 149.0 32.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -178.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.354 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.816 179.436 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.045 0.45 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -62.36 -44.42 96.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.918 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.62 -30.96 71.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.8 -34.37 27.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -65.83 -43.54 88.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.572 ' HB2' HG11 ' A' ' 114' ' ' VAL . 40.3 m-85 -68.25 -23.83 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.418 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -87.68 13.77 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.333 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.34 148.0 18.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.668 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.34 -10.83 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.675 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -142.88 166.41 26.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -135.61 136.42 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.684 0.278 . . . . 0.0 111.025 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 168' ' ' VAL . 1.7 tt -131.55 103.54 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.8 tp -82.97 129.22 35.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 126' ' ' VAL . 19.4 t -134.14 121.72 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.598 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 104' ' ' THR . 5.3 p90 -131.3 153.87 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.942 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.5 t -94.58 145.63 24.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 27.7 pt -77.23 -34.51 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.964 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.6 p -62.17 -25.8 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -117.03 102.88 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -62.99 -16.2 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.47 -26.55 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m -66.03 -53.76 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.145 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.36 -36.29 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.1 p -72.43 -53.34 12.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.775 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.1 p -60.16 -31.37 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.284 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 43.6 mt-10 -62.16 -44.55 96.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.47 -25.2 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -50.75 -53.24 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.07 -36.81 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.127 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.6 mm-40 -58.5 -29.17 66.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.78 -36.5 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.633 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -68.05 -26.58 65.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.3 mmp_? -67.84 -50.86 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.314 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.2 m -61.62 -22.35 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 110.657 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -123.2 60.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.008 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.73 -36.78 26.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.665 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -52.96 -46.53 68.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.91 0.386 . . . . 0.0 110.261 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 119' ' ' ASP . 6.8 tt0 55.78 -131.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.406 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 118' ' ' GLU . 33.9 m-20 77.94 -45.84 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.886 0.474 . . . . 0.0 110.064 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -148.44 81.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.528 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 118' ' ' GLU . 21.3 mm -86.85 109.53 25.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 63.7 Cg_endo -72.1 103.11 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.248 1.965 . . . . 0.0 111.921 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.9 tp -133.4 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 tp -158.37 122.68 4.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.143 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -100.09 143.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.587 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 92' ' ' VAL . 10.0 p -145.66 154.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.59 139.81 15.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.926 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.35 -175.17 2.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.409 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.5 mmtt 56.95 19.96 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.448 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.6 t -57.56 -19.93 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.067 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.17 -8.36 12.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 135' ' ' ARG . 39.8 mt -119.0 87.62 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.39 -40.81 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.234 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.4 -26.27 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.537 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -96.78 10.27 39.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.496 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 41.7 ttm180 -79.56 108.99 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 110.28 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 14.3 mm100 -88.87 -26.86 21.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.492 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.1 102.54 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.9 Cg_exo -54.41 134.44 61.37 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.097 1.865 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.96 -46.66 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.554 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.8 pt-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.359 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.2 tt0 -68.98 -41.25 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.721 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.74 70.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.4 mtt180 -70.2 -40.55 74.51 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.313 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -60.98 -48.18 83.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.631 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -47.99 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.283 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.017 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.41 -32.37 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -54.17 -46.88 72.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -66.96 -19.62 65.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.58 29.52 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.44 160.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 111.74 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -104.62 131.83 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.561 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -97.48 141.49 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.085 0.469 . . . . 0.0 111.776 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.71 151.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.053 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.25 143.81 26.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 164' ' ' ASN . 45.1 p -150.14 159.3 44.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.136 0.493 . . . . 0.0 111.791 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 61.6 m -122.78 111.48 16.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.337 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.7 -2.33 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.6 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -96.98 -48.35 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.768 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 63.6 p -83.47 -5.28 59.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.464 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.31 39.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.86 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.673 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.593 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.8 m-20 -112.11 17.18 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.343 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -62.91 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.4 p30 -74.0 -16.24 61.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 111.105 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -61.67 -31.45 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.793 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' VAL . 26.0 m -80.63 -26.73 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.663 0.268 . . . . 0.0 111.483 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -71.56 -44.44 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.812 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -71.84 -47.01 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.94 -45.79 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.91 -37.04 78.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 3.2 ttp -60.21 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.256 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.19 -36.95 78.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.55 -46.72 86.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 59.7 mt -58.04 -32.21 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 110.765 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.507 HH11 HD12 ' A' ' 57' ' ' LEU . 79.6 mtp180 -73.97 -54.32 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.443 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 55.3 m -88.65 -59.72 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -55.9 -54.33 45.96 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.5 tttm -64.38 -57.71 8.55 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 57.7 mtt -58.13 -18.27 24.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.687 0.279 . . . . 0.0 111.253 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.681 0.277 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 97.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 111.103 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 1.3 tt -80.6 102.96 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.13 121.78 43.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 57.5 mttp -104.43 117.74 34.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.3 134.29 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.92 126.99 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.191 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 4.2 mmt -75.29 98.2 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -107.14 153.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.437 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 177.77 -159.91 26.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.047 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -59.84 -53.48 57.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.028 0.442 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.21 29.75 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.294 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.52 68.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.745 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.63 -22.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.309 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 113.96 53.52 0.44 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.546 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 50.5 mttm -59.95 -50.59 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 31' ' ' THR . 61.5 p -51.76 -29.42 18.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.285 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.63 -52.81 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.984 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.684 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -61.26 -24.56 66.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.8 m -73.04 -41.11 64.53 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.18 72.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.292 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.8 mm100 -64.35 -37.91 89.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.353 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.55 -26.59 61.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.753 0.311 . . . . 0.0 111.197 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.6 -49.51 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -121.31 -11.81 8.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 61.78 36.94 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 0.0 110.57 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.46 140.47 51.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -95.8 105.39 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 42' ' ' ASP . 17.6 t -127.16 143.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.08 -27.15 62.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.665 ' H ' HG12 ' A' ' 40' ' ' VAL . 24.3 t70 -62.83 148.33 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -134.1 -172.78 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -151.6 107.66 2.91 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.66 142.4 50.3 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.461 2.107 . . . . 0.0 112.467 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -114.11 141.97 46.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -135.59 -32.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.66 -13.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.79 136.31 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -126.32 168.4 14.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 21.7 m-85 -102.0 148.79 24.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.224 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.29 141.16 28.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.29 172.86 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.341 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -127.55 127.0 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.067 0.46 . . . . 0.0 111.742 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.54 153.09 32.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.581 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.7 131.14 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.348 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -120.21 95.14 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.743 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 54.15 30.83 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 39.22 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.645 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -153.0 113.83 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -82.91 129.74 35.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.78 177.9 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.592 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt-30 -119.71 119.09 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.806 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.5 tt -107.88 133.03 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -119.87 119.7 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.618 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.85 128.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 tt -132.41 109.48 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.524 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 6.4 p-10 -80.75 120.6 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.9 p -83.58 -10.29 58.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 -169.49 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.097 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 -179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.944 0.402 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -53.52 -39.52 64.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -58.78 -34.84 71.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -57.13 -45.3 83.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.09 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.54 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' HB2' HG11 ' A' ' 114' ' ' VAL . 31.2 m-85 -66.49 -21.83 66.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.513 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -83.31 -3.27 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -100.61 10.54 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -140.52 176.18 21.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.594 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 20.9 mm-40 -109.46 -54.35 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.86 165.14 33.07 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.669 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -135.53 139.82 44.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.721 0.295 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.757 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -131.04 107.73 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.762 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 16.3 tp -82.51 129.11 34.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.484 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 126' ' ' VAL . 21.5 t -129.97 134.43 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.62 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -147.59 154.64 40.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.621 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -94.09 144.47 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.768 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 96' ' ' THR . 3.6 pt -73.52 -42.86 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.5 t -65.9 -11.95 50.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 96' ' ' THR . 10.0 mm-40 -116.96 95.94 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.12 -18.31 63.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 104' ' ' THR . 26.8 m -68.95 -54.07 17.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.856 -178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -57.71 -34.66 69.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.614 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -72.64 -53.84 10.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.4 77.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.4 p -58.49 -39.6 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.44 -34.28 66.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.457 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.76 -44.39 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -60.76 -26.4 67.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.268 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.7 -45.12 70.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.52 -26.79 63.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 65.9 mm-40 -74.21 -26.44 60.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.03 0.443 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.33 -38.41 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -67.63 -26.44 66.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.773 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 19.0 mmm180 -55.43 -50.53 69.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.2 m -71.73 -11.54 15.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.958 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -131.79 69.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.89 -23.05 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.174 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.39 -37.89 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.23 132.06 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.733 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.09 -43.99 14.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.755 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.531 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 27.7 mmmt -95.25 120.11 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.361 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.2 mm -114.84 104.95 53.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HE2' ' A' ' 180' ' ' LYS . 24.2 Cg_exo -63.7 130.51 28.17 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.439 2.093 . . . . 0.0 112.027 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.16 152.67 33.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.451 ' HB2' HD13 ' A' ' 172' ' ' LEU . 14.8 tp -158.22 120.96 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.305 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.606 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -92.8 143.53 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.405 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.453 HG12 HG22 ' A' ' 92' ' ' VAL . 2.5 p -142.02 154.14 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.99 115.54 2.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.894 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -90.33 -177.32 5.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 3.2 tppp? 57.21 17.36 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.5 t -63.36 -10.47 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.113 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.8 -15.08 57.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 135' ' ' ARG . 79.7 mt -104.14 84.08 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.5 -11.18 60.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.85 -28.07 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.7 mtt180 -99.0 -2.35 37.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.291 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.4 ttm180 -67.28 107.87 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 0.0 110.419 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -96.77 -17.16 20.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.0 99.88 41.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.17 142.59 55.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.346 2.031 . . . . 0.0 111.915 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -57.07 -45.88 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.3 mt-10 -56.3 -49.71 73.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.231 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.13 -28.34 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.94 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.5 mtt180 -77.39 -36.64 53.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.2 t -60.13 -51.06 71.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.358 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.25 74.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.515 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.0 -29.23 68.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.2 -32.46 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.96 -41.69 62.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.53 -26.72 61.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.04 30.14 3.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.86 170.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 111.435 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.34 135.11 54.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.726 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.606 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.7 t80 -97.96 146.22 25.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 111.717 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.89 154.3 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -89.4 138.41 31.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.8 p -148.01 156.87 43.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.061 0.457 . . . . 0.0 111.821 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 161' ' ' THR . 68.8 m -136.75 109.04 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.497 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.58 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.755 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.48 -54.9 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 158' ' ' SER . 9.6 t -87.37 -1.67 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.45 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.8 ppt_? 34.81 40.03 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.977 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.1 -55.43 5.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.112 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.27 11.29 21.71 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.7 p -60.44 -42.51 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.63 -15.0 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -37.37 83.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.262 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 90' ' ' LEU . 10.4 p -76.49 -27.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -72.52 -46.69 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.29 -46.78 60.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.201 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -50.49 72.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 124' ' ' LEU . 59.5 tp -60.46 -46.77 88.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 25.1 ttp -54.46 -42.02 70.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.54 -34.13 73.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.09 -26.32 67.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 82.7 mt -72.57 -54.16 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 111.378 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 17.3 ptm180 -60.8 -29.7 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.616 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -87.23 -58.31 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.531 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 52.0 tttp -69.6 -53.33 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.1 ttmm -62.87 -55.98 21.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -62.16 -13.86 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 84.7 p . . . . . 0 C--N 1.331 -0.238 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.043 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.5 172.41 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -139.06 106.95 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -104.33 152.74 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 93.8 mttt -129.9 104.29 7.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.68 137.75 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -107.63 134.51 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.311 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.451 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -85.34 96.08 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.122 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -104.76 157.18 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.958 0.409 . . . . 0.0 111.302 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.79 -163.81 28.58 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.194 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.474 ' HB3' HG23 ' A' ' 104' ' ' THR . 71.5 p -66.2 -49.32 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.67 -13.46 0.78 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.112 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.4 68.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.5 t -121.33 -57.56 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.599 0.238 . . . . 0.0 111.168 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.19 39.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 19' ' ' MET . 33.8 mtmm -53.78 -37.25 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.036 0.446 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' A' ' 31' ' ' THR . 79.1 p -73.33 -29.88 62.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.779 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.2 -53.02 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.986 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 HG23 ' A' ' 165' ' ' VAL . 2.7 mm? -60.73 -25.09 66.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.0 m -74.25 -39.92 62.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.636 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.25 -31.16 67.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.043 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.587 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.3 mm100 -71.47 -38.37 71.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.197 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -73.22 -44.34 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.849 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.6 mmm -82.3 -49.79 9.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -94.6 -19.57 20.35 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.7 m-20 57.99 42.79 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -154.59 150.04 27.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.853 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.7 110.47 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.06 151.56 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.22 -77.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.039 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -176.07 104.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -171.19 100.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -155.02 80.79 4.31 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.28 119.61 6.4 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.653 2.235 . . . . 0.0 111.824 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -81.16 100.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.142 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -90.9 30.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.624 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.89 9.76 5.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.98 136.92 38.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.4 p -104.12 162.41 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -99.24 150.34 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -142.85 137.35 29.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.937 0.399 . . . . 0.0 110.989 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -158.23 155.53 29.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -103.29 122.28 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.361 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 148.03 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.2 p -89.3 130.03 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 111.246 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 55.9 tp -130.12 109.23 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.427 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 59.78 31.31 20.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.85 29.56 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.659 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -96.25 113.88 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.984 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.0 tt0 -76.35 126.15 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.36 170.59 19.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.79 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -108.05 150.25 27.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.39 134.89 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 21.9 t70 -116.72 113.66 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.83 123.66 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.0 tm? -126.43 116.62 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.289 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.82 135.77 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.1 p -102.78 -28.01 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.48 -171.11 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.14 179.923 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.601 ' HA ' HD22 ' A' ' 81' ' ' ASN . 55.5 mt . . . . . 0 C--O 1.231 0.106 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -55.83 -33.73 64.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.571 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.08 -35.44 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.631 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.601 HD22 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m-80 -56.02 -34.5 65.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -65.66 -46.86 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -65.8 -17.5 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.382 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -82.03 -18.2 44.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.101 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 t -101.16 5.03 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.67 148.44 16.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -94.23 -45.64 7.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.576 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -93.87 160.06 24.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.124 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.54 133.59 32.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.33 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 124' ' ' LEU . 19.5 tp -125.09 106.68 10.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.6 tp -82.16 140.94 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.31 137.28 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 104' ' ' THR . 16.4 p90 -156.74 160.09 38.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.708 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 67.3 m -93.81 126.89 39.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 pt -60.99 -29.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.438 HG22 ' HG3' ' A' ' 129' ' ' LYS . 6.0 t -81.45 -20.89 39.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -101.84 96.95 7.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.25 -17.69 62.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -74.15 -27.6 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 110.547 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -76.63 -53.61 7.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.599 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.87 -41.74 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.585 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -72.92 -53.98 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.166 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -58.0 -33.76 69.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 93' ' ' PHE . 11.6 p -65.8 -31.47 72.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.04 69.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.85 -42.96 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.01 -25.8 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.1 tmt_? -49.77 -45.89 50.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.561 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.42 -39.64 70.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 13.5 mm-40 -59.07 -30.53 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.12 -43.24 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -67.27 -26.29 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.825 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 25.1 mmt180 -53.55 -50.88 64.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.81 0.338 . . . . 0.0 111.817 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.602 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.35 -11.34 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.67 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.9 mmtt -123.23 58.99 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.94 -12.79 59.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.433 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.37 6.45 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 22.0 mm-40 -115.22 162.34 17.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.87 -57.44 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -74.08 106.65 5.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.53 104.22 54.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 18.3 Cg_exo -66.38 109.2 1.53 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.455 2.104 . . . . 0.0 112.098 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 124' ' ' LEU . 54.8 tp -132.84 157.62 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 123' ' ' LEU . 28.6 tp -158.17 115.59 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.149 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -89.09 136.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 111.168 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.479 HG11 HG11 ' A' ' 168' ' ' VAL . 21.2 t -140.55 153.79 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.79 132.66 6.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.769 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -162.74 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 132' ' ' LEU . 36.0 mmtp 56.58 18.44 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.364 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.4 m -59.82 -17.06 33.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.29 12.97 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.656 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.0 mt -125.48 82.2 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.32 -21.42 60.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.468 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.58 -34.74 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.336 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.1 mtt180 -84.18 -1.78 55.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.087 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttm105 -61.29 107.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.99 -35.01 24.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.2 t -108.69 104.24 53.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.778 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.18 124.67 13.31 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 121.99 1.793 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.5 p -51.37 -44.09 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.305 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.0 pt-20 -54.8 -36.75 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.6 tt0 -75.13 -39.6 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.396 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.7 -28.6 69.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.818 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.4 mtt180 -67.96 -45.63 73.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.276 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -60.84 -46.37 90.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.493 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -65.65 -48.17 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.662 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.568 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -52.6 -43.83 65.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.588 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.89 -31.8 63.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.63 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.28 -48.07 62.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 35.8 m0 -63.92 -21.52 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.51 14.73 24.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.076 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.09 -179.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 0.0 111.48 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.02 131.14 55.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.062 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.5 t80 -96.1 136.71 36.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 111.418 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 90.1 t -132.85 149.79 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.91 137.57 32.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.369 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.3 p -139.17 157.39 46.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.45 . . . . 0.0 111.382 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.1 m -127.0 109.5 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.9 -6.6 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -93.56 -51.05 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.411 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 34.5 p -84.73 -7.13 59.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.411 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.411 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.4 ppt_? 37.76 35.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.887 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -75.93 -55.97 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -106.71 12.25 29.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.64 HG23 HD12 ' A' ' 30' ' ' LEU . 10.0 p -65.37 -43.04 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.313 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.0 m-20 -73.22 -25.42 60.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 111.263 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.13 -32.29 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.068 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -74.7 -26.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -74.93 -45.67 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.778 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -71.87 -36.2 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.21 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.076 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.8 -32.4 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.3 ttm -55.72 -45.52 77.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 57' ' ' LEU . 86.2 mtm180 -60.93 -34.73 75.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.81 -51.71 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 74.8 mt -57.59 -31.39 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 62.6 mtp180 -72.5 -59.89 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.644 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.0 m -87.19 -59.13 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -56.95 -54.28 48.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.2 tptt -62.98 -50.8 69.35 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -70.38 -12.33 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.718 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 37.6 t . . . . . 0 C--N 1.331 -0.22 0 CA-C-O 120.667 0.27 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.85 131.32 34.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -105.67 112.08 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -104.01 154.02 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.66 145.16 47.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.57 121.54 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.58 105.72 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.571 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -65.14 98.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -105.49 160.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 172.79 -157.92 27.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.836 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 29.3 t -59.6 -56.07 26.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.0 0.428 . . . . 0.0 110.973 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.19 -7.69 1.19 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.42 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.53 64.71 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.078 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 93' ' ' PHE . 38.3 t -115.8 -50.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 111.463 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.01 42.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.213 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.3 OUTLIER -53.02 -49.68 65.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.393 . . . . 0.0 111.323 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.9 p -54.57 -30.13 53.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.586 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.96 -51.85 67.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.24 -25.23 65.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 31.6 m -74.04 -42.21 60.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.152 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.65 -32.13 70.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.742 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.551 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.9 mm100 -69.13 -37.64 78.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 111.17 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -73.63 -49.12 27.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mtp -82.1 -50.02 9.53 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -104.51 -5.75 21.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 5.5 p-10 40.36 64.36 0.94 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.196 0.522 . . . . 0.0 110.977 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -159.79 128.86 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.754 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 70.1 t80 -80.08 109.07 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -107.48 150.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.05 -78.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.538 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.81 -153.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.324 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.2 t80 67.37 92.22 0.08 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -144.84 68.47 14.32 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.39 153.38 77.18 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.617 2.212 . . . . 0.0 112.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 48' ' ' ALA . 33.4 m -126.75 103.15 7.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -91.07 28.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.421 ' H ' HG22 ' A' ' 46' ' ' THR . . . 62.54 12.84 5.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.427 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.25 128.34 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.762 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -87.22 170.0 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -111.91 166.45 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -144.72 146.85 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -166.48 138.24 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.43 114.9 27.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.04 142.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.9 p -83.26 142.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.3 109.45 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 t70 59.52 31.01 20.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.62 -18.98 56.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.753 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -104.35 116.13 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -87.05 120.84 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.8 149.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.47 131.1 35.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.67 135.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -126.06 113.62 17.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 67' ' ' LEU . 65.4 mt -110.25 154.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.234 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -146.28 114.69 6.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.209 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.77 131.36 38.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.7 p -119.33 112.23 19.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.953 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -166.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.259 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.353 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.851 0.358 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.7 ptt180 -58.32 -35.64 72.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.22 -31.2 67.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -54.35 -44.68 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -57.67 -35.24 70.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.489 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.33 -24.13 37.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -81.66 -28.62 33.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.248 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -87.48 12.67 11.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.021 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.76 178.86 16.36 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -121.65 -50.95 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.41 154.69 19.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.35 133.37 38.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.985 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.8 mt -122.07 111.38 16.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.639 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.4 tp -82.94 118.92 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 t -124.13 136.17 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.798 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -150.31 159.14 44.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.433 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.461 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.7 m -100.31 146.63 26.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.185 0.516 . . . . 0.0 111.586 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.0 pt -76.21 -31.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.71 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.524 HG21 HD22 ' A' ' 132' ' ' LEU . 68.3 p -66.95 -28.97 68.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.79 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -111.43 97.34 6.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.67 -15.65 53.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.47 -26.71 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 79.8 p -70.57 -51.44 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.7 -36.16 61.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.656 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.2 p -72.67 -53.97 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.987 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.37 75.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.2 p -59.37 -31.76 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.81 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -67.92 -46.42 71.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.588 ' HA ' HE21 ' A' ' 110' ' ' GLN . 20.9 m-85 -62.07 -24.2 66.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -47.87 -53.57 15.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.21 -38.83 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.402 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' A' ' 107' ' ' PHE . 44.3 mt-30 -56.2 -36.72 68.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.171 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -43.01 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.93 -27.29 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.561 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -60.13 -50.61 73.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.83 -11.45 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.553 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.8 mmtt -127.35 34.53 4.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.8 59.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.62 -39.47 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -87.91 133.7 33.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.47 -34.5 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.347 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -89.18 110.08 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mm -119.64 106.58 41.82 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.2 Cg_endo -61.49 125.95 18.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.214 1.943 . . . . 0.0 112.009 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.0 tp -142.1 157.39 44.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 tp -161.77 132.69 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.112 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.589 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -108.84 143.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.987 0.423 . . . . 0.0 111.939 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.7 p -141.89 156.15 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.996 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.93 110.28 1.14 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.811 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 157' ' ' THR . 29.3 p-10 -86.0 -170.15 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 110.409 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 95' ' ' ILE . 25.9 mmmt 61.21 18.15 8.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -60.58 -19.94 59.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -10.61 41.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.046 0.45 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.7 mp -108.48 91.25 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.666 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.88 -54.94 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -7.55 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.858 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.593 ' HD3' HD23 ' A' ' 132' ' ' LEU . 65.0 mtp180 -118.58 22.61 11.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.689 0.281 . . . . 0.0 111.604 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 37.5 ttm180 -99.09 110.26 22.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.41 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -94.54 -23.99 17.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.435 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.47 100.48 14.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.87 140.72 81.31 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.076 1.85 . . . . 0.0 111.236 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.44 -43.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.375 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -53.83 -44.28 70.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.512 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.26 -29.2 47.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.342 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtm180 -77.53 -34.89 53.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.4 t -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -72.96 -45.31 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.839 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.78 -44.86 96.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.17 -32.28 55.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.344 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.67 -41.91 64.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.761 0.315 . . . . 0.0 110.655 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 18.9 m0 -71.95 -20.64 61.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.97 38.11 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.759 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.22 -179.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 111.355 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -125.8 131.76 52.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.849 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.589 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.7 t80 -97.47 141.31 30.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.426 . . . . 0.0 111.31 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 154.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.25 141.8 28.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.289 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 164' ' ' ASN . 40.4 p -150.92 164.74 35.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 0.0 111.854 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.8 t -138.91 112.09 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.294 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.99 0.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.465 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.17 -45.8 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.659 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 66.7 p -91.05 -6.0 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.027 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 34.82 42.85 0.08 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.77 -55.81 5.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.079 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.604 ' HB2' HG22 ' A' ' 157' ' ' THR . 66.9 m-20 -111.93 19.4 17.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.658 0.266 . . . . 0.0 111.475 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 33' ' ' GLN . 6.6 p -65.0 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.665 0.269 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -73.43 -14.68 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.82 -39.48 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.9 m -74.25 -27.57 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.63 -45.95 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.379 . . . . 0.0 110.705 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.01 -33.51 68.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.078 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.14 -52.08 65.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 122' ' ' PRO . 64.6 tp -62.68 -33.72 75.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.4 ttm -57.28 -46.24 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.646 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -64.02 -34.22 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 16.1 mm-40 -62.12 -51.64 67.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.625 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.1 mt -58.18 -32.01 43.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 181' ' ' MET . 79.3 mtp180 -70.18 -58.07 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.644 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.2 m -87.92 -59.25 2.29 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.6 tttt -58.1 -54.29 48.62 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 24.4 tptm -63.94 -47.72 79.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -68.19 -13.7 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.789 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.95 21.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.98 124.76 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -116.47 116.85 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.8 mttt -96.2 113.54 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 129.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 mm -108.94 118.41 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 89.0 mmm -70.94 87.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -95.63 163.34 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.26 -153.59 18.35 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.623 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.468 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 73.7 p -62.0 -45.5 93.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.13 -10.42 5.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.233 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.62 68.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.7 t -124.22 -71.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.14 57.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 27.9 mmtp -57.91 -47.99 81.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.142 0.496 . . . . 0.0 111.07 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' A' ' 31' ' ' THR . 12.3 p -53.74 -29.46 39.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.622 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.26 -52.78 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.008 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.778 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -65.38 -24.78 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 28' ' ' SER . 37.4 m -68.8 -41.43 78.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.373 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.25 -42.43 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.758 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.3 mm100 -65.95 -26.77 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.35 -51.42 17.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.7 ttm -82.2 -49.8 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.57 -20.52 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.6 m-20 53.48 31.99 13.26 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.609 ' HA ' HH11 ' A' ' 162' ' ' ARG . 10.3 tp10 -152.57 133.52 14.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.825 -178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' N ' HE22 ' A' ' 33' ' ' GLN . 61.3 t80 -86.65 110.25 19.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.87 145.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.31 109.31 9.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -162.99 147.79 11.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.918 0.389 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -121.66 125.89 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.498 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -121.55 104.32 40.03 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.58 140.86 83.68 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 112.095 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.3 m -76.84 107.9 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.11 43.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.96 16.91 8.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.541 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -101.11 126.27 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -109.43 155.54 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.93 155.9 16.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.146 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -146.24 133.81 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.675 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.51 146.02 22.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -91.77 122.18 34.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -139.06 137.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.3 p -66.51 142.71 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -137.33 99.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.22 31.28 18.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.39 -43.29 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.839 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.18 117.96 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 111.165 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -73.65 121.98 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.98 147.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.82 166.0 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tt -142.6 122.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.493 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.6 t70 -98.27 113.53 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 31' ' ' THR . 84.1 mt -107.65 126.73 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -137.08 104.15 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.197 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.72 113.26 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.7 m -93.71 109.54 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -175.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 179.854 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.9 mt . . . . . 0 C--O 1.231 0.128 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 79' ' ' ARG . 8.6 ptm180 -59.51 -29.2 67.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.914 0.388 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.99 -36.46 79.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.65 -34.55 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.552 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -64.45 -32.39 74.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.706 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -76.13 -15.24 60.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.37 -39.83 18.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -62.18 -23.04 66.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.13 155.23 16.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.7 -51.07 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.617 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.4 156.93 23.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.672 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HZ ' ' HZ3' ' A' ' 115' ' ' LYS . 20.8 m-85 -128.73 141.25 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 110.677 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -126.26 108.77 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.77 113.99 20.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 126' ' ' VAL . 3.8 t -123.36 124.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.4 p90 -136.9 168.85 18.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.554 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -112.56 147.74 35.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 96' ' ' THR . 30.7 pt -77.43 -37.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 0.0 110.767 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 132' ' ' LEU . 23.2 p -60.95 -14.29 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.51 98.98 5.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -62.95 -16.29 58.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.55 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.27 -26.62 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.248 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 88.1 p -70.09 -53.62 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.778 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.7 -34.31 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.878 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.6 -54.05 10.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.42 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.299 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.633 ' HB ' HD11 ' A' ' 91' ' ' LEU . 4.1 p -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.086 0.469 . . . . 0.0 110.636 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.44 72.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.978 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.54 -43.23 77.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 6.7 m-85 -60.54 -24.66 65.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.175 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.43 -43.28 34.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.01 -37.37 72.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.474 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 43.3 mm-40 -64.01 -27.35 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.31 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.68 -26.33 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.6 mmm180 -50.5 -50.67 52.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -65.72 -33.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HZ3' ' HZ ' ' A' ' 89' ' ' PHE . 24.4 mmtm -104.55 53.12 0.74 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.446 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.58 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.14 -40.53 96.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 63.64 158.39 0.08 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.61 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.2 t70 179.71 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.766 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.7 mmtt -145.35 85.71 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.862 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.98 109.14 22.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.66 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.7 Cg_endo -84.02 132.67 5.49 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.519 2.146 . . . . 0.0 111.667 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.0 tp -146.61 156.88 43.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 111.281 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -155.87 128.63 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.211 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.608 HG11 ' CB ' ' A' ' 147' ' ' ALA . 2.4 p -100.02 143.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.037 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 92' ' ' VAL . 7.6 p -151.05 147.61 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -121.88 107.47 1.19 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.944 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -82.5 -176.25 6.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.992 0.425 . . . . 0.0 110.606 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? 55.44 24.56 6.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.945 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.9 m -70.36 2.64 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.128 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.66 -20.84 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 135' ' ' ARG . 3.4 mt -101.4 86.54 3.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 111.015 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.424 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.2 mt-10 -73.13 -26.16 61.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -88.64 -15.5 34.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.5 mtt180 -110.59 13.29 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.452 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.9 ttm180 -77.24 112.25 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.95 -31.44 25.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.81 107.38 48.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.361 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.87 136.17 74.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.131 1.888 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -55.61 -47.08 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.396 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.3 mt-10 -61.38 -41.55 97.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.31 -35.48 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.57 67.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.2 mtt180 -64.16 -38.63 91.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.26 -51.74 54.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.608 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -66.54 -40.11 88.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.71 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.03 -32.1 53.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -53.13 -36.47 60.84 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -74.39 -27.73 60.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.2 31.87 3.42 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.148 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.3 -175.4 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.32 135.36 51.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.76 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HA ' HG13 ' A' ' 125' ' ' VAL . 40.2 t80 -100.9 143.9 30.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.124 0.487 . . . . 0.0 111.848 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.39 148.98 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.826 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.17 139.22 30.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 164' ' ' ASN . 66.6 p -143.79 164.93 29.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.0 111.663 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 69.4 m -140.46 109.95 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.61 -9.78 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.373 -179.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -90.7 -36.19 14.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 49.1 p -86.4 -20.25 28.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.609 HH11 ' HA ' ' A' ' 38' ' ' GLU . 6.4 mtm180 51.06 28.51 3.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.484 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.28 -56.62 4.31 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.499 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.17 15.9 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.0 p -65.78 -40.4 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.451 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.13 -22.9 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -57.34 -43.95 83.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.199 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.0 m -69.11 -27.01 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.78 -48.44 25.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -72.17 -47.96 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.09 -45.76 79.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.451 HD22 ' HG ' ' A' ' 90' ' ' LEU . 60.3 tp -65.18 -32.76 74.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.74 -39.62 92.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -69.25 -35.9 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.834 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.14 -32.66 70.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 180' ' ' LYS . 93.3 mt -72.89 -55.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.652 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.476 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.91 -24.39 66.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.863 -179.06 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.5 m -89.86 -59.41 2.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.445 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.1 tttp -70.66 -54.68 10.97 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 176' ' ' ILE . 27.5 mtpp -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 41.0 mtt -70.21 -13.17 62.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.261 . . . . 0.0 111.144 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.3 t . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.973 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.831 0.348 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -98.2 166.68 11.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.29 110.7 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.12 135.2 46.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 98.8 mttt -98.53 146.64 25.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -135.31 117.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.839 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.5 mm -100.88 105.83 18.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.8 tpt -70.5 89.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.183 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.8 p -101.52 162.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -179.04 -161.33 26.45 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 25' ' ' VAL . 31.0 t -59.71 -48.21 82.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.08 -28.93 0.52 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.8 38.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.615 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 22' ' ' SER . 71.8 t -78.72 -73.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 0.0 111.333 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' HD22 ' A' ' 30' ' ' LEU . . . -178.83 24.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 21.7 pttm -47.11 -45.36 22.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 111.217 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -65.56 -30.61 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.23 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.01 -52.55 59.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.91 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -61.0 -24.84 66.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.3 m -70.5 -45.65 65.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.581 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.98 -41.57 70.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.644 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.3 mm100 -56.79 -36.76 70.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.81 -25.64 61.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.847 0.356 . . . . 0.0 111.174 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -82.41 -49.26 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -115.5 -13.43 11.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.2 m-20 61.18 31.64 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.99 129.42 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.31 105.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -134.47 139.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.62 99.77 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -172.74 146.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -159.25 150.95 20.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.901 0.382 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 43.6 mm-40 -138.99 133.39 16.36 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.79 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 43.5 Cg_exo -57.53 143.45 94.55 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.438 2.092 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -83.73 151.08 25.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 47' ' ' LYS . 8.8 mtpm? -142.22 68.42 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.0 16.14 3.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.366 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -117.67 134.8 54.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.3 m -119.97 176.59 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 41.1 m-85 -90.64 153.41 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -147.14 130.31 16.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -160.12 143.69 14.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -82.55 130.26 35.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.66 150.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.51 127.43 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HH11 ' A' ' 177' ' ' ARG . 63.1 tp -130.38 95.2 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 57.44 31.17 19.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.626 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.44 -32.82 7.11 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.661 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.38 120.54 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.55 120.12 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.8 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 13' ' ' ALA . 26.8 m -133.51 146.58 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.5 144.81 27.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.08 146.04 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.3 t70 -127.94 113.64 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.713 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.533 HG12 ' HB ' ' A' ' 17' ' ' VAL . 80.2 mt -121.98 140.45 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -112.42 134.29 54.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.07 92.44 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.8 p -86.19 177.31 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.05 -177.54 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' HA2' HH22 ' A' ' 79' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.605 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.497 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 32.4 mm . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 111.71 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.415 HH22 ' HA2' ' A' ' 71' ' ' GLY . 38.0 mmt180 -56.04 -53.76 53.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.319 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 90.2 m-20 -59.38 -34.73 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.416 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -76.9 -29.38 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.515 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -83.02 -15.8 49.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.346 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.74 -33.45 31.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.305 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.1 m -92.73 13.97 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.211 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -122.44 161.11 16.75 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.696 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.548 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 16.2 mm-40 -110.58 -55.52 2.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.828 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.9 155.52 24.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.84 131.26 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.47 106.52 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 14.8 tp -82.62 133.36 35.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.43 130.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HB3' HG21 ' A' ' 104' ' ' THR . 35.5 p90 -141.43 141.43 33.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.636 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 p -85.4 139.99 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 129' ' ' LYS . 29.8 pt -76.82 -30.47 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.917 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.9 p -67.3 -17.26 64.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -126.45 107.15 10.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -62.83 -16.1 57.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.386 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.77 -26.75 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 0.0 110.612 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.2 m -68.15 -53.78 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.4 -35.41 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.908 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.0 p -72.49 -54.39 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.209 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.431 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.94 -40.63 94.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.694 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.3 p -55.68 -45.5 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 110.404 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.48 67.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.739 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.76 -29.23 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.919 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.61 -24.56 53.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.532 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -48.37 -41.08 27.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.99 -35.31 74.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -63.02 -40.53 98.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.422 HD11 HG11 ' A' ' 20' ' ' VAL . 93.4 mt -59.93 -41.7 86.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.436 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.04 -26.27 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -50.43 -51.32 47.64 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.716 0.293 . . . . 0.0 111.753 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -66.98 -36.75 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 111.314 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 76.0 mmtt -99.07 37.65 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.17 -19.7 65.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.234 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -106.64 2.47 25.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 32.1 tt0 -110.53 146.3 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.9 -66.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.277 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.31 121.79 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.096 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.9 mm -130.28 103.88 16.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' ' HD3' ' A' ' 180' ' ' LYS . 45.8 Cg_endo -68.26 96.3 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.285 1.99 . . . . 0.0 112.241 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.2 tp -119.19 157.54 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.3 tp -163.91 117.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.539 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -90.24 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 t -133.8 149.78 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.36 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.15 139.19 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.663 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -108.09 171.84 7.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.481 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.6 mmtp 61.44 18.65 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.156 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -59.39 -18.34 38.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.06 -4.13 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 110.597 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.513 HD13 ' HD3' ' A' ' 135' ' ' ARG . 54.4 mt -120.42 85.66 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.646 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.417 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 36.1 mt-10 -73.06 -31.25 64.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.45 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -78.16 -20.06 52.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.314 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.3 mtp180 -104.83 17.15 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.39 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.435 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.4 ttm105 -83.52 112.31 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -89.63 -27.44 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.1 104.97 32.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.76 128.95 32.46 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.17 1.914 . . . . 0.0 111.353 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 8.5 p -52.67 -44.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.271 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 140' ' ' VAL . 45.9 mt-10 -55.63 -46.96 77.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.46 -31.56 72.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.718 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.44 -28.54 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.926 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.7 mtm180 -74.78 -41.85 59.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -63.55 -36.6 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.303 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.511 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -76.83 -48.91 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.465 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.67 73.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.35 -32.2 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.2 -45.34 61.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.732 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 31.0 m0 -68.07 -23.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.35 18.45 11.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.973 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.15 174.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.369 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -116.96 128.06 54.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.565 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.1 t80 -95.06 141.11 29.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 111.37 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.79 149.33 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.94 138.95 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.086 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -145.32 152.22 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.824 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -116.66 109.53 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.38 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.23 -1.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.955 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -99.55 -42.63 6.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.686 0.279 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.422 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 82.3 p -92.2 -2.35 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.455 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 32.95 43.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.607 0.567 . . . . 0.0 112.053 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.79 -55.79 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.467 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.9 m-20 -111.91 15.74 20.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.65 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.8 p -64.72 -48.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.69 -24.2 59.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.699 0.285 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -57.27 -41.52 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.829 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.3 m -71.94 -26.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.688 0.28 . . . . 0.0 111.397 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -69.91 -44.41 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -72.11 -30.22 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -52.83 63.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.59 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.5 -31.32 71.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.1 tpp -53.16 -45.09 68.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.004 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -69.27 -34.0 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.05 -48.96 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.436 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.8 mt -58.11 -32.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.597 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.506 HH11 HD23 ' A' ' 57' ' ' LEU . 27.6 mtp180 -75.87 -51.98 11.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.5 m -87.95 -59.34 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.63 -54.39 40.28 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.8 tptm -60.55 -48.82 80.09 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.2 mmt -71.86 -12.61 61.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.644 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.451 179.697 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.28 152.29 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 tp -129.91 107.02 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.714 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -104.19 132.94 49.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -111.15 112.26 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -104.48 134.6 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.3 mm -112.54 111.98 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.3 mmm -62.62 97.73 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.327 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.4 p -103.67 164.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.484 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.03 -158.57 23.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.628 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.83 -51.12 61.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.05 -10.81 1.6 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.385 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.72 64.78 0.32 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.501 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.9 t -126.57 -45.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.88 41.85 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.628 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.5 mtmt -54.36 -28.36 42.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.641 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.554 ' O ' ' HB ' ' A' ' 31' ' ' THR . 82.7 p -82.54 -28.32 31.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.49 -52.66 64.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.352 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -63.29 -24.96 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.5 m -66.72 -53.44 33.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.557 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.46 -40.88 85.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.578 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -72.77 -25.57 61.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.2 tpp -81.99 -49.79 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -111.41 -7.68 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.0 m-20 57.73 30.59 19.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.931 0.396 . . . . 0.0 110.604 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -148.42 137.84 22.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.728 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -77.18 106.03 8.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.821 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -129.09 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -82.85 101.98 11.33 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.68 143.44 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -155.64 138.86 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -146.82 109.56 4.07 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.64 142.44 95.74 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.373 2.048 . . . . 0.0 112.005 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -132.18 153.26 50.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -106.56 -28.84 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -163.02 -4.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 48' ' ' ALA . 8.5 m-20 -72.54 133.68 44.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.4 t -128.36 174.45 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 53.7 m-85 -106.85 145.66 31.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -142.76 142.08 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.103 0.478 . . . . 0.0 111.448 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -159.35 146.92 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.448 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 99.4 mttt -86.64 127.7 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.0 111.544 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -138.33 144.8 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.677 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.8 p -79.43 144.41 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.5 tp -136.98 100.82 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 31.32 16.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.75 -38.22 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.687 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.38 113.99 26.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 tt0 -71.39 114.89 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.25 140.56 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 26.5 mt-30 -80.7 129.86 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -107.77 133.44 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.8 t70 -118.01 119.5 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 31' ' ' THR . 73.3 mt -107.79 115.93 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.408 . . . . 0.0 110.932 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tp -122.27 124.15 43.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.113 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.77 149.76 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -126.56 -85.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.64 -166.44 0.32 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.097 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.24 179.649 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.893 0.378 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -51.08 -40.02 57.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.03 -38.18 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.65 -39.6 81.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.321 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -76.35 -36.85 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.452 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -71.8 -16.58 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.91 -22.66 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -90.51 8.08 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.03 132.31 6.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.277 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.82 -51.5 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 111.061 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -95.3 164.21 24.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.676 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.2 141.65 44.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 124' ' ' LEU . 15.6 mt -124.64 103.99 8.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -82.31 127.6 33.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.88 136.33 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.119 0.485 . . . . 0.0 112.045 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.625 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -147.25 141.35 26.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.152 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -78.71 143.11 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 111.256 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' A' ' 129' ' ' LYS . 25.5 pt -73.65 -32.79 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.768 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.3 p -76.03 -0.49 21.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.666 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -131.56 93.86 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.28 -16.95 61.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -73.39 -26.48 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 110.252 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -69.48 -52.02 30.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.434 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -56.52 -35.87 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 0.0 111.528 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.6 p -71.98 -53.68 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.83 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.618 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.9 p -55.72 -31.87 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.86 -46.63 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -57.84 -33.53 68.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.212 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -51.59 -43.0 62.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.18 -38.01 72.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -62.45 -28.54 69.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.78 -36.17 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.38 -25.28 66.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.238 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -50.8 -51.04 54.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.6 m -69.12 -12.99 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.61 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.7 mmtt -128.94 52.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -37.53 28.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.616 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.28 -51.23 69.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.414 . . . . 0.0 110.321 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 59.37 107.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -131.86 -47.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.597 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 34.2 mmtp -148.31 76.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.596 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.9 mm -77.29 114.46 40.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.992 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.494 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -88.09 126.27 2.0 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.783 2.322 . . . . 0.0 112.056 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 67.6 tp -146.61 162.85 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.727 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.483 ' HB3' HD23 ' A' ' 90' ' ' LEU . 43.0 tp -161.43 113.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.072 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.784 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -84.17 143.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.205 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 168' ' ' VAL . 13.2 t -148.91 153.15 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.02 127.46 5.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.003 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -96.56 -164.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.585 0.231 . . . . 0.0 110.456 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.693 ' HB3' HG12 ' A' ' 95' ' ' ILE . 9.6 tppt? 65.62 12.89 8.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.062 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.63 -14.86 9.34 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.54 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.37 -8.89 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.648 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 135' ' ' ARG . 34.8 mt -121.21 74.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.62 -25.11 66.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -85.8 -6.34 59.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.503 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.3 mtt180 -118.15 8.16 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.432 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.473 HH22 ' HG2' ' A' ' 156' ' ' GLU . 12.0 ttm180 -73.29 108.16 6.01 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.485 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.18 -31.72 33.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.392 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.87 107.08 41.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.56 131.13 42.56 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.994 1.796 . . . . 0.0 111.33 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -49.2 -45.91 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.361 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.24 -49.47 71.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.17 -29.88 71.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.69 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 89.3 mtt180 -77.56 -38.12 49.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.503 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.5 -48.6 32.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.993 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.784 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.71 -28.83 68.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.553 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.17 -32.18 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -51.99 -38.69 57.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -71.92 -24.69 61.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.8 7.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.409 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -176.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.029 0.442 . . . . 0.0 111.661 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -126.94 136.32 52.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.639 ' HA ' HG13 ' A' ' 125' ' ' VAL . 75.4 t80 -94.84 134.55 37.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.973 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.63 155.08 40.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.473 ' HG2' HH22 ' A' ' 136' ' ' ARG . 37.1 mt-10 -88.61 144.86 26.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.9 p -151.94 170.95 18.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.036 0.445 . . . . 0.0 111.853 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 37.9 t -150.73 115.28 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.54 0.43 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -99.85 -46.0 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 p -91.28 -4.41 55.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.429 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 35.41 38.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.528 0.518 . . . . 0.0 111.752 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.94 -52.28 9.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.872 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.19 13.7 21.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.838 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -63.54 -36.07 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.73 -27.28 61.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -60.29 -31.21 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.579 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 126' ' ' VAL . 2.5 m -74.57 -36.71 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 111.385 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.33 -37.62 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -71.73 -49.96 34.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.21 -48.94 73.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.314 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.5 tm? -60.28 -41.1 92.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.013 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.436 ' HB2' ' HE3' ' A' ' 173' ' ' MET . 44.5 ttm -56.74 -46.13 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.46 ' HG2' HD11 ' A' ' 57' ' ' LEU . 89.4 mtm180 -69.62 -40.2 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.75 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.29 -35.08 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.639 HD11 ' HA3' ' A' ' 88' ' ' GLY . 97.3 mt -72.93 -54.68 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 111.73 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 7.3 ppt_? -60.6 -26.25 66.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.622 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.8 m -87.41 -59.26 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.9 tttp -70.67 -53.94 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.6 tttp -61.15 -59.17 5.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.6 mmt -57.38 -13.92 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.767 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 46.9 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.31 151.02 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 tp -123.51 105.87 10.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.205 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -104.52 114.19 28.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -101.62 107.63 18.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.379 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.66 139.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.421 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.0 mm -106.34 141.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.089 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 tpt -91.55 87.69 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -97.7 162.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.51 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 173.57 -160.57 30.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.653 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 84.4 p -61.72 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.829 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' H ' ' HZ1' ' A' ' 27' ' ' LYS . . . 127.25 -5.12 7.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.14 82.72 0.08 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 93' ' ' PHE . 10.9 m -140.95 -33.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.3 45.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.409 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HZ1' ' H ' ' A' ' 23' ' ' GLY . 52.5 mttp -55.93 -43.73 77.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.004 0.431 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.522 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.1 p -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.282 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.069 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.593 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -63.8 -24.57 67.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.1 m -67.12 -48.95 66.54 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.173 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.57 -44.46 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.46 -35.97 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.631 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -72.36 -30.11 64.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.435 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ttm -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -121.18 -10.34 9.0 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 162' ' ' ARG . 9.0 m-20 59.94 29.84 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.68 127.33 47.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -83.16 113.82 20.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.12 141.15 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.1 -52.03 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 128.96 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -119.34 158.61 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -107.91 124.8 33.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 144.39 73.17 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.215 1.943 . . . . 0.0 112.362 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -117.14 117.53 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -111.77 -39.08 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.89 4.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.74 132.41 38.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 m -112.3 163.51 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 56.8 m-85 -103.37 152.82 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.378 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -137.39 144.06 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.956 0.407 . . . . 0.0 111.258 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -157.8 158.14 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.38 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -110.21 124.12 51.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 111.337 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.38 142.61 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.5 p -98.47 146.2 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.023 0.439 . . . . 0.0 111.911 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 173' ' ' MET . 56.3 mt -123.72 94.65 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 54.9 30.88 14.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.464 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.88 -54.17 0.75 Allowed Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.519 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -80.09 118.67 22.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.801 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -92.35 131.37 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.98 154.89 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.62 142.51 29.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.249 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.6 tt -115.32 145.4 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.1 t70 -136.27 113.67 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.8 mt -106.43 137.3 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.202 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.43 106.02 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.32 131.23 34.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.2 p -107.76 123.42 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.5 -159.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.554 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.973 0.416 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -54.73 -30.02 55.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.284 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -53.81 -32.57 53.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -72.99 -35.8 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.213 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.78 -26.91 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.75 -18.51 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HE ' HG12 ' A' ' 114' ' ' VAL . 29.7 ttm180 -83.95 -20.66 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.951 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.5 p -94.34 13.23 24.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.421 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -135.84 171.73 22.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.4 -53.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.648 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -92.2 163.13 27.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -138.39 136.87 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -122.0 106.09 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -83.28 96.12 8.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.244 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.696 HG23 HG13 ' A' ' 126' ' ' VAL . 13.7 p -109.29 134.56 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.982 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.7 p90 -143.24 -175.12 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.2 m -119.66 146.87 45.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.542 HD13 ' HE ' ' A' ' 136' ' ' ARG . 5.6 pt -78.72 -34.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.1 p -59.39 -20.48 55.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.369 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -123.13 104.18 9.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -63.05 -19.64 64.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.93 -25.88 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.439 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 16.4 m -66.48 -53.38 35.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.313 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -58.85 -35.45 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.07 0.462 . . . . 0.0 111.245 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -71.61 -52.61 17.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.491 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.79 -37.83 83.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.563 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.1 p -57.3 -38.25 73.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.124 0.488 . . . . 0.0 110.635 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.33 71.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.17 -44.78 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.409 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 9.9 m-85 -59.03 -25.01 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.209 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' A' ' 111' ' ' ILE . 18.3 ttt180 -50.4 -37.48 37.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.321 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.67 -46.45 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.424 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 107' ' ' PHE . 1.9 mp0 -56.43 -25.26 49.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.114 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 108' ' ' ARG . 93.5 mt -67.21 -45.05 87.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.87 -26.55 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.735 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.1 mmt180 -52.41 -50.53 62.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -70.57 -38.92 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.753 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.615 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -98.89 37.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.86 -26.81 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -90.12 -25.0 20.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.8 tp10 -83.49 141.9 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.986 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.19 -60.52 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.85 123.06 23.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.721 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 41.8 mm -123.03 104.97 35.03 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 28.4 Cg_endo -63.02 123.45 12.25 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.324 2.016 . . . . 0.0 111.91 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.8 tp -145.81 159.54 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 111.274 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.0 tp -160.83 128.65 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.475 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.636 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -101.7 142.53 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 92' ' ' VAL . 14.3 p -151.63 151.83 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.39 115.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 157' ' ' THR . 35.5 p30 -79.4 -160.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.433 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 61.76 13.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.57 0.224 . . . . 0.0 111.205 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.446 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.1 t -57.74 -13.99 5.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.7 -5.41 15.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 44.4 mt -123.54 85.17 2.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.9 -39.63 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.317 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.0 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.43 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.529 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.7 mtp180 -110.04 3.59 20.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.542 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.37 109.65 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -89.81 -27.64 19.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.483 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 75.9 t -94.04 104.44 13.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 21.5 Cg_endo -62.75 128.2 22.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.094 1.863 . . . . 0.0 111.468 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -48.32 -42.77 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.456 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.11 -49.59 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.5 -35.04 79.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.03 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.2 mtm180 -77.62 -31.23 52.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -65.58 -52.11 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.387 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -47.39 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.57 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.22 -46.65 89.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.962 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.93 -32.61 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.346 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.86 -39.78 59.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.844 0.354 . . . . 0.0 110.452 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.421 ' NE1' ' HD2' ' A' ' 108' ' ' ARG . 8.9 m0 -73.67 -24.9 60.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.24 16.5 13.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.928 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.62 174.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 111.462 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.07 141.95 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.772 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.636 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.9 t80 -102.84 140.73 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 111.415 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.19 155.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.98 147.23 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 26.6 p -148.48 169.0 21.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.482 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.8 m -141.16 111.68 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.597 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.94 -0.45 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -99.18 -41.56 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -94.27 -7.51 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 37' ' ' ASP . 6.7 ppt_? 35.99 36.52 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.233 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.85 -55.62 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.813 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.89 18.08 19.17 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 30' ' ' LEU . 7.5 p -66.61 -42.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.716 0.293 . . . . 0.0 110.897 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.1 -14.75 61.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -58.73 -39.85 82.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.589 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -76.85 -26.84 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -72.83 -45.6 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.694 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -72.04 -32.2 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.25 -51.22 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.2 tm? -60.49 -36.9 79.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.278 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 57' ' ' LEU . 44.4 ttm -57.65 -44.44 85.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.59 -37.38 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.2 -51.02 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.648 HD11 ' HA3' ' A' ' 88' ' ' GLY . 73.1 mt -58.11 -31.94 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.272 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -73.54 -53.07 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.681 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.4 m -87.72 -58.92 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -58.02 -53.92 52.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.9 tttm -64.88 -54.89 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 51.3 mtt -61.41 -17.94 56.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.509 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 137.9 31.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -120.45 107.47 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.31 139.25 39.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 61.1 mttm -124.49 115.9 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.291 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.1 133.19 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.277 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.7 mm -109.71 114.58 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.6 mmm -65.18 96.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -100.65 167.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.749 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 175.05 -156.53 22.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.723 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 28.7 t -61.52 -41.3 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.958 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.77 -6.57 4.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.7 40.48 0.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 22' ' ' SER . 79.3 t -95.47 -50.31 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.635 0.255 . . . . 0.0 111.361 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.61 37.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.4 mttt -48.98 -34.91 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.449 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.5 p -80.87 -28.78 35.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.807 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.56 -53.27 60.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.5 mm? -63.33 -24.49 67.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 44.3 m -67.46 -56.06 11.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.892 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.54 -40.59 75.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.292 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -59.41 -42.57 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 111.223 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.81 -31.9 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mmm -81.6 -50.35 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.85 -6.97 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 58.1 77.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.014 0.435 . . . . 0.0 110.804 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -168.01 130.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -80.93 109.22 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.272 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.64 145.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.65 -25.86 7.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.36 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.08 163.27 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 t80 57.36 101.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.51 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -153.33 73.07 6.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.0 126.43 9.32 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.598 2.198 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.5 m -136.92 105.96 5.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -121.85 -67.03 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.82 -5.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.09 127.71 33.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -111.13 165.83 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -104.19 159.14 15.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -148.79 144.43 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -168.56 136.01 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 122.27 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.65 141.07 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 9.0 p -76.1 139.45 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.09 113.27 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.44 31.54 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.07 -32.16 5.83 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.555 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.69 115.14 27.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -74.85 114.19 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.034 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -121.77 145.97 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.05 134.21 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -106.27 138.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.577 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.4 t70 -126.27 113.64 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.409 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.34 149.7 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 111.614 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 69' ' ' THR . 2.1 tm? -130.12 122.09 27.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.902 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -46.35 -57.71 4.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.867 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.475 ' H ' HD13 ' A' ' 67' ' ' LEU . 24.4 m 65.04 101.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.16 -169.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.447 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 60.8 mt . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.851 0.357 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -53.98 -45.55 71.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.83 -36.79 82.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 89.2 m-20 -56.3 -39.84 73.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.406 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -68.81 -38.76 80.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.339 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB2' HG11 ' A' ' 114' ' ' VAL . 24.0 m-85 -68.46 -20.61 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -79.44 -6.86 57.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -93.14 0.19 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.6 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -149.32 150.1 22.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.12 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 39.7 mt-10 -85.86 -47.39 9.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.872 0.368 . . . . 0.0 110.607 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 166.09 33.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -139.55 136.25 34.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.9 102.17 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.81 114.39 21.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 126' ' ' VAL . 85.2 t -121.84 139.16 49.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.6 p90 -146.9 154.76 41.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.94 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.46 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 75.0 m -94.17 134.26 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.411 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 33.4 pt -65.91 -21.32 28.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 132' ' ' LEU . 24.4 p -81.0 -47.63 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.008 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.67 101.79 11.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 102' ' ' THR . 58.7 t-80 -62.7 -18.14 61.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.24 -26.91 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.734 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 24.1 m -70.4 -53.87 14.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.531 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.26 -44.14 67.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.883 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 98' ' ' HIS . 2.5 t -72.46 -53.1 13.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.423 ' H ' HG23 ' A' ' 102' ' ' THR . . . -57.47 -41.73 81.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.852 0.358 . . . . 0.0 111.43 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 91' ' ' LEU . 9.6 p -54.96 -34.69 63.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.199 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.01 71.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.46 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -68.23 -45.21 73.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -59.21 -25.05 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -49.3 -49.86 41.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.281 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.63 -29.45 65.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.381 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.63 -27.58 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.14 -40.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.474 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.4 -26.65 66.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -50.93 -51.14 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.83 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 83' ' ' PHE . 13.5 m -69.5 -52.12 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.985 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -85.98 39.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -6.8 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.49 -18.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.084 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -93.99 145.15 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.24 -37.93 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.555 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -99.65 105.24 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.6 mm -99.78 105.28 33.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.424 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.24 122.75 10.57 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.299 1.999 . . . . 0.0 111.897 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -140.48 155.06 46.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.39 122.94 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.11 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 147' ' ' ALA . 4.6 p -97.63 143.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.501 . . . . 0.0 111.826 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 168' ' ' VAL . 22.0 t -139.99 127.21 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.307 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.99 123.55 7.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.917 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -93.3 -168.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.46 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 70.1 mmtt 58.92 18.23 6.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.4 m -65.41 -12.67 54.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.34 9.64 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 30.0 mt -128.33 82.02 2.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.74 -28.14 62.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -84.67 -40.65 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 78.6 mtp180 -78.92 0.18 28.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.411 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 39.3 ttm180 -64.47 111.77 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -87.75 -33.18 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.528 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -105.58 117.15 58.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.57 124.51 14.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.794 1.662 . . . . 0.0 111.421 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -51.44 -43.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.184 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -63.23 -38.28 90.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.59 70.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -72.57 -34.28 67.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.185 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -65.79 -53.25 42.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.444 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.565 ' HZ3' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -61.81 -47.49 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.27 -47.29 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -51.4 -31.69 23.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.528 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 151' ' ' GLY . 20.0 mm-40 -51.97 -43.21 63.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.565 ' HE1' ' HZ3' ' A' ' 146' ' ' LYS . 7.4 m0 -71.03 9.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.95 25.88 75.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.272 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 150' ' ' TRP . 20.0 m -121.72 162.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 111.638 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -104.46 126.02 51.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.482 ' HA ' HG13 ' A' ' 125' ' ' VAL . 19.0 t80 -95.36 130.42 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.985 0.422 . . . . 0.0 111.104 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.3 t -123.52 150.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.23 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.42 139.92 30.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 164' ' ' ASN . 40.3 p -146.9 166.44 26.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.104 0.478 . . . . 0.0 111.657 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.438 ' HB3' ' OG1' ' A' ' 161' ' ' THR . 36.3 t -139.51 112.58 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.997 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.49 -6.3 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.845 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -96.9 -34.95 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 111.215 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 158' ' ' SER . 58.6 p -97.96 -9.04 26.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.467 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.5 ppt_? 34.08 41.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.641 0.588 . . . . 0.0 111.853 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.55 -55.62 5.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.364 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 157' ' ' THR . 1.0 OUTLIER -111.97 12.55 20.74 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 168' ' ' VAL . 46.5 t -64.68 -46.82 91.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -73.29 -15.18 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.408 ' HD2' ' ND2' ' A' ' 164' ' ' ASN . 5.9 tmtm? -69.14 -45.34 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.354 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 126' ' ' VAL . 35.1 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.482 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.413 ' O ' ' HG3' ' A' ' 173' ' ' MET . 14.3 m-85 -66.53 -47.5 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.509 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -68.52 -35.14 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.454 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 19.2 t70 -62.46 -31.94 72.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 175' ' ' GLU . 57.5 tp -72.53 -47.15 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.401 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 28.8 mtm -55.39 -35.82 65.73 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.743 0.306 . . . . 0.0 111.509 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 74.8 mtm180 -69.76 -47.91 61.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 172' ' ' LEU . 11.4 pt-20 -67.76 -25.36 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.54 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 79.1 mt -71.18 -55.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.341 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 181' ' ' MET . 61.3 mtp180 -59.44 -28.78 67.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.5 m -86.85 -59.16 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 182' ' ' SER . 82.5 tttt -70.9 -53.95 13.22 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 62.8 tttm -58.29 -52.97 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -65.88 -15.34 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.638 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 35.4 t . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 111.107 -179.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 158.24 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -123.99 113.98 19.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -110.49 154.14 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.781 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.38 141.26 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.21 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.568 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -132.38 115.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mm -99.46 106.23 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 78.6 mmm -59.94 91.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.204 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.7 p -98.84 159.71 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.193 -179.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.66 -161.29 24.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 80.0 p -60.2 -40.54 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.416 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.08 36.98 0.68 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.308 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.96 39.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.578 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.6 t -99.66 -73.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.13 43.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.145 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -53.67 -46.78 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.224 -179.84 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.8 p -51.0 -29.91 13.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.11 -52.72 62.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.798 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.07 -25.11 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.826 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.4 m -65.49 -46.43 79.77 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.33 -44.43 65.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.496 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.6 mm100 -56.99 -41.79 79.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -72.54 -25.01 61.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.785 0.326 . . . . 0.0 111.517 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.8 ttm -81.46 -46.01 15.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -123.86 -7.09 7.88 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 58.4 44.17 18.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.481 . . . . 0.0 110.597 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -154.11 127.53 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.023 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.44 143.19 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.55 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -80.73 18.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -116.36 175.96 5.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -158.42 -176.91 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.746 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.85 134.2 11.36 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 151.4 35.17 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.491 2.127 . . . . 0.0 112.233 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -68.58 103.11 1.61 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -97.84 27.11 4.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.86 15.38 8.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -107.77 131.28 54.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -87.49 175.15 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.244 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -123.87 154.98 38.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.572 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 80.9 mtm180 -142.38 145.4 33.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.386 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 39.2 ttpt -151.16 154.64 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -98.77 128.97 45.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.57 146.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.456 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.5 p -106.78 141.32 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.951 0.405 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.84 103.67 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 56.18 31.21 17.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.232 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.47 -46.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.064 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.85 114.05 15.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -91.34 114.15 26.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.41 163.18 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.307 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.9 139.69 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 13.6 tt -110.12 139.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.762 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.5 t70 -131.01 122.59 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG12 ' HB ' ' A' ' 17' ' ' VAL . 92.2 mt -125.71 128.54 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -101.2 112.66 25.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.61 140.27 42.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -161.85 150.31 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.29 -176.57 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.335 179.709 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.91 0.386 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -51.48 -40.96 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.84 -31.77 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.469 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.05 -36.84 82.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.897 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -77.61 -41.7 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.47 -26.5 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -73.43 -15.97 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -104.99 9.65 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.16 138.81 12.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.767 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -86.44 -54.79 4.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.58 158.7 20.37 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.29 135.96 43.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.594 0.235 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -125.55 105.28 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.843 179.489 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.7 tp -82.23 119.28 23.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.668 0.271 . . . . 0.0 110.281 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 126' ' ' VAL . 8.8 t -133.29 138.87 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.902 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 25' ' ' VAL . 12.8 p90 -145.27 171.02 15.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.345 178.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' HG13 ' A' ' 25' ' ' VAL . 56.0 m -107.68 137.94 44.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.249 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.472 HD13 ' HE ' ' A' ' 136' ' ' ARG . 17.6 pt -64.99 -35.79 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 179.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 p -66.97 -14.34 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -119.62 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.709 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -63.13 -16.44 60.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -73.47 -26.48 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -71.49 -50.35 32.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.859 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -50.76 -33.6 23.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 111.934 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -72.78 -53.76 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.818 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.4 -36.38 83.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.6 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.6 p -58.1 -33.13 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.77 68.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.854 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.19 -49.78 40.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -53.62 -30.64 43.65 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.001 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -50.23 -41.09 49.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.689 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.25 -45.95 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.4 -28.62 59.86 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.86 -43.0 87.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.289 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.71 -26.43 66.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.765 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -53.35 -50.53 64.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 10.3 m -70.59 -44.34 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.006 -179.102 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -94.59 34.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.18 -27.18 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.69 -32.87 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.37 168.99 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -120.43 -33.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -93.13 106.66 18.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.527 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.84 104.61 50.85 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.358 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' HE3' ' A' ' 180' ' ' LYS . 40.6 Cg_endo -66.94 132.07 27.23 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.333 2.022 . . . . 0.0 112.014 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.9 tp -148.49 155.2 40.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.008 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 90' ' ' LEU . 28.9 tp -162.24 129.23 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.285 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -95.25 141.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 111.026 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 92' ' ' VAL . 21.7 t -137.11 151.87 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.87 103.97 0.51 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.1 p-10 -81.26 -166.22 1.11 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 63.22 12.74 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -60.22 -14.3 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.17 -7.32 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.555 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 135' ' ' ARG . 55.6 mt -116.41 80.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.718 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.88 -17.18 62.73 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.47 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.9 pt-20 -93.48 -6.83 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.471 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.47 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.4 mtt180 -122.05 15.5 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.369 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.472 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.7 ttm180 -77.28 108.25 10.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -84.97 -31.69 23.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.312 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 48.5 t -103.68 101.03 21.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.569 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 11.6 Cg_endo -55.98 142.55 84.93 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.177 1.918 . . . . 0.0 111.208 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.3 p -55.34 -48.42 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.759 -179.253 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.7 mt-10 -54.9 -49.71 70.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.544 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.4 -36.41 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.757 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.1 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -77.61 -32.61 53.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -66.31 -46.84 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -44.31 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.552 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -63.33 -41.19 98.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.89 -31.68 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.03 -44.45 61.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.622 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.28 -23.0 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.11 28.62 5.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.19 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.15 -178.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.197 0.523 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.34 145.3 50.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.2 t80 -107.31 137.65 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.315 0.578 . . . . 0.0 111.814 -179.033 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.13 149.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.01 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 70.7 p -143.89 165.45 27.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.478 -179.195 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.1 p -146.0 110.92 5.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.552 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.75 -4.3 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.814 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.89 -54.52 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 p -94.03 1.43 56.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.496 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 32.31 48.93 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.9 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.72 -56.03 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.094 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -111.99 11.63 20.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -63.52 -43.19 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.795 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.3 m-20 -73.86 -21.96 59.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 167' ' ' LYS . 34.1 tptt -65.04 -41.97 94.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.706 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 165' ' ' VAL . 13.7 m -69.99 -27.25 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.794 0.33 . . . . 0.0 111.706 -178.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -75.28 -47.71 26.65 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -70.21 -41.44 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.419 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.36 -42.63 92.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.33 -32.41 68.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.5 ttm -62.47 -48.73 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -62.07 -31.05 71.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 86.4 mt -72.84 -54.48 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -52.18 -36.35 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.7 m -86.74 -58.95 2.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 83.8 tttt -70.41 -54.76 11.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 4.7 tppp? -57.33 -47.02 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.0 mmt -72.6 -13.0 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.734 179.973 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.36 141.9 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 HE21 ' A' ' 63' ' ' GLN . 1.8 tm? -107.63 107.18 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.76 122.72 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -105.11 117.94 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.988 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 134.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.552 HD11 ' HA3' ' A' ' 86' ' ' GLY . 28.4 mm -99.02 131.84 45.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tpt -85.15 95.67 9.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.564 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 1.9 t -83.89 167.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 173.53 169.17 35.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.695 179.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.9 t -58.48 -67.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.118 0.485 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.99 -28.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.118 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.2 39.34 1.25 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.425 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 22' ' ' SER . 74.9 t -88.06 -62.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.687 0.279 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.42 43.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.726 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptpp? -54.64 -37.35 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 110.875 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' A' ' 31' ' ' THR . 69.7 p -66.95 -30.0 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.119 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.61 -52.44 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -60.17 -24.65 64.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.095 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.1 m -74.09 -44.33 54.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.789 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.68 -38.95 73.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 mm100 -59.12 -37.85 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.976 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.67 -25.32 61.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.478 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 tpp -82.02 -49.61 10.05 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -108.51 -10.37 15.27 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.0 t70 60.03 31.99 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 110.519 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.08 151.94 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -90.39 105.98 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.46 151.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.978 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -112.92 117.39 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -134.62 -40.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 59.16 99.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -143.21 98.88 5.47 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.7 157.68 22.72 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.474 2.116 . . . . 0.0 112.094 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.609 HG21 ' H ' ' A' ' 69' ' ' THR . 13.7 t -113.4 155.65 24.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -126.13 -35.22 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.435 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.65 -7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.6 m-20 -80.51 133.68 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.9 p -130.0 176.58 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.018 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -104.85 149.6 25.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -144.01 129.66 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.892 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.41 139.95 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 60.9 mttp -85.64 126.62 34.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.72 137.29 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -67.41 132.45 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 174' ' ' ARG . 55.1 tp -134.17 107.04 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 56.27 31.34 18.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.91 -29.63 12.07 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.98 114.9 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.802 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.1 tt0 -74.4 118.15 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.34 147.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.264 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.552 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -82.29 129.52 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -108.88 138.1 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -120.19 113.81 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.4 mt -114.7 133.03 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.92 134.51 51.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.6 -43.49 89.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.609 ' H ' HG21 ' A' ' 46' ' ' THR . 73.1 p 51.74 -172.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.433 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.5 -175.85 0.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.181 179.615 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mt . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.886 0.374 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -59.01 -37.15 76.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.73 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -53.93 -34.82 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -65.38 -45.63 83.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.304 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -65.78 -32.04 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.772 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -77.93 -7.95 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -96.66 5.97 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.552 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -138.94 167.05 25.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.575 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 41.4 mt-10 -106.86 -40.6 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.686 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -98.15 160.04 20.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.646 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -135.94 135.34 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.63 0.252 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 124' ' ' LEU . 28.0 tp -130.28 106.37 8.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.974 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.7 tp -83.06 138.81 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.688 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 126' ' ' VAL . 88.9 t -142.42 131.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 0.0 111.621 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.2 p90 -138.32 158.07 45.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.541 178.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.3 t -99.03 144.07 28.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 36.0 pt -77.26 -33.97 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.955 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -67.46 -10.62 53.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.18 99.89 4.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -62.8 -16.17 56.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.268 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.27 -26.52 62.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 89.6 p -67.19 -53.65 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.64 -38.51 55.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.664 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 50.2 p -71.89 -54.27 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.178 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.93 89.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.586 ' HB ' HD11 ' A' ' 91' ' ' LEU . 33.1 p -54.36 -31.51 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.605 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -63.13 -34.64 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.172 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -49.07 78.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 111' ' ' ILE . 69.9 m-85 -56.59 -34.67 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.2 tmt_? -49.91 -50.66 45.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.49 -37.0 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.18 -26.8 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.401 -179.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.6 mt -63.21 -41.7 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.951 0.405 . . . . 0.0 110.715 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.07 -29.85 68.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -63.83 -50.98 66.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.447 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.0 m -66.35 -13.68 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -121.12 36.07 4.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -13.15 14.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -98.5 -23.23 15.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.4 tp10 -95.9 141.22 29.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.93 -49.21 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -76.52 107.46 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.1 mm -121.04 103.36 42.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.686 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 71.8 Cg_endo -76.92 123.83 7.04 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.488 2.125 . . . . 0.0 112.178 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.7 tp -135.69 161.38 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 90' ' ' LEU . 51.7 tp -165.68 127.88 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.224 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.7 p -101.32 143.33 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 0.0 111.46 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 127' ' ' GLY . 34.6 t -141.88 156.07 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -129.27 128.17 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.66 -170.5 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 60.15 14.61 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 136' ' ' ARG . 42.7 t -62.61 -14.9 48.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.15 -15.33 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HD3' ' A' ' 135' ' ' ARG . 39.5 mt -108.43 81.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.691 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.78 -17.49 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -91.88 -21.05 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.524 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.0 mtp180 -105.95 25.49 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.454 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.7 ttm105 -95.15 110.97 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.25 -31.8 22.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.6 107.53 40.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.283 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.59 130.96 35.57 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.001 1.801 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -48.35 -44.59 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -179.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.45 -47.77 75.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.38 -39.15 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.76 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.8 mtt180 -73.76 -38.49 64.69 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -63.09 -49.75 73.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -66.72 -43.59 83.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.817 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.11 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.267 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.06 -32.67 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -54.8 -38.66 67.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.447 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 22.1 m0 -70.36 -21.42 62.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.84 20.52 10.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.554 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.3 m -127.17 175.85 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.504 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -117.71 130.3 56.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.832 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.519 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.5 t80 -95.29 140.29 30.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.113 0.483 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.46 150.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.85 143.05 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.698 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 38.9 p -149.44 153.9 38.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.514 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.5 m -117.56 109.96 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.27 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.303 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -88.19 -34.07 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.7 p -100.89 -8.5 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? 34.95 37.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.565 0.541 . . . . 0.0 111.992 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.66 -55.65 5.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.124 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -108.9 13.05 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.555 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.7 t -68.98 -42.12 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.281 . . . . 0.0 111.111 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.03 -14.88 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -69.44 -31.83 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.0 m -76.81 -26.93 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.153 -179.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -72.06 -45.91 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -69.34 -36.9 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.48 -54.01 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.43 -36.06 82.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.8 ttm -56.96 -42.61 80.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 57' ' ' LEU . 93.8 mtt180 -67.99 -34.58 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.7 -33.39 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.3 mt -73.06 -54.97 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.425 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.467 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -57.35 -28.24 62.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.493 -179.23 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 61.2 m -88.21 -60.43 1.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.79 -54.54 9.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 54.6 tptt -58.01 -39.28 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.5 mmt -81.16 -14.58 57.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 179.912 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 62' ' ' VAL . . . -103.55 177.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.4 tp -132.88 107.92 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.46 ' CD2' HG21 ' A' ' 62' ' ' VAL . 56.7 m-70 -104.24 115.11 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.81 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -93.76 117.45 30.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -107.16 128.89 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.18 132.96 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -83.92 83.69 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.715 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -90.84 153.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.478 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -175.51 -160.01 22.47 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.725 -179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.0 p -66.34 -46.94 75.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.643 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.82 -6.74 1.87 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.061 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.29 73.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.74 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' HE2' ' A' ' 27' ' ' LYS . 18.6 m -129.64 -20.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.841 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.37 49.54 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.923 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.66 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -60.71 -43.48 97.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.097 0.475 . . . . 0.0 110.411 179.817 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.2 p -57.67 -29.26 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.142 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.97 -52.26 66.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.91 -179.262 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -62.11 -24.83 67.37 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.627 HG23 HG21 ' A' ' 66' ' ' ILE . 86.5 m -73.43 -41.54 63.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.69 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.759 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.532 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -66.26 -28.71 68.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 111.333 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -73.54 -53.52 10.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.873 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 ttm -82.38 -49.72 9.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -89.17 -26.22 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.1 m-20 57.2 42.94 24.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.047 0.451 . . . . 0.0 110.217 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.09 141.01 21.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.204 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.93 106.94 19.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.663 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.7 p -134.94 151.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -83.16 7.17 16.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.569 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.4 t70 -93.43 139.07 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.062 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.28 171.8 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.25 124.2 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.767 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.35 122.6 12.07 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.366 2.044 . . . . 0.0 112.356 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.9 m -91.94 136.63 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.6 ttmp? -131.08 -46.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.428 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -162.17 -11.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' H ' ' H ' ' A' ' 48' ' ' ALA . 14.7 t70 -76.35 134.32 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.5 t -119.02 173.64 6.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -115.39 158.59 22.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -143.93 138.47 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -152.64 156.37 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -115.48 123.31 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.22 147.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.3 p -79.03 146.18 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.42 111.4 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.95 31.33 20.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.557 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.18 -19.64 45.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -106.78 114.6 28.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.5 tt0 -78.58 144.28 35.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.46 HG21 ' CD2' ' A' ' 15' ' ' HIS . 13.5 p -146.1 153.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.76 143.46 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.39 132.35 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -119.64 116.18 25.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.684 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 31' ' ' THR . 82.4 mt -109.89 128.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 111.365 -179.6 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -125.2 113.94 18.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.134 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -78.77 117.16 19.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.2 p -102.08 117.5 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.83 -176.42 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.679 -179.842 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt . . . . . 0 CA--C 1.527 0.075 0 CA-C-O 120.967 0.413 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -55.26 -42.5 73.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.65 -31.34 47.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.338 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.37 -49.3 77.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -60.42 -35.38 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.301 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -78.14 -25.74 47.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' N ' HG11 ' A' ' 114' ' ' VAL . 55.2 ttt180 -83.81 -17.27 41.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -88.32 7.83 30.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.31 142.9 11.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.491 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 12.6 mm-40 -89.88 -37.14 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.87 20.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.1 143.0 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.006 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -136.04 105.02 5.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.294 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' HB ' ' A' ' 104' ' ' THR . 18.8 tp -83.0 132.53 35.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.285 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 126' ' ' VAL . 25.2 t -131.92 119.61 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.687 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.5 p90 -126.96 141.29 51.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.91 0.386 . . . . 0.0 110.465 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.0 t -85.93 143.58 28.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.358 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.435 HD11 ' O ' ' A' ' 129' ' ' LYS . 5.0 pt -78.79 -32.95 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.684 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 p -59.39 -37.38 77.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.57 106.32 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -62.61 -16.41 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.699 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.56 -26.55 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.143 0.497 . . . . 0.0 110.079 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -65.51 -52.23 54.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -55.09 -37.27 66.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.768 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.22 -53.79 11.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.728 -179.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.66 -40.28 91.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 93' ' ' PHE . 14.8 p -59.32 -40.6 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 178.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.93 65.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.765 179.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.66 -31.13 66.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.862 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -76.5 -26.51 55.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.484 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -54.26 -40.77 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.631 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.73 -28.98 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -73.53 -26.26 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.08 -37.93 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.34 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.77 -25.97 65.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.1 mmp_? -50.68 -51.15 52.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.1 m -66.63 -36.06 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -105.25 54.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -39.89 33.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.384 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.44 -47.63 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.402 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 56.19 105.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.199 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.61 -50.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.774 179.077 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.461 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.4 mmtt -146.15 81.7 1.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.639 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 19.9 mm -84.35 110.3 25.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.03 130.91 6.7 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.858 2.372 . . . . 0.0 111.043 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.4 tp -153.12 159.0 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.537 -179.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 23.9 tp -162.32 118.91 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.324 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.7 p -96.11 143.75 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.52 -179.296 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 92' ' ' VAL . 5.9 p -142.91 154.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.137 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -123.36 110.78 1.56 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.149 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.37 -166.36 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.435 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.1 mmtt 59.8 13.2 3.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.178 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -60.65 -13.3 13.74 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.144 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.86 -3.45 9.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.69 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.7 mt -120.36 85.06 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.9 -25.88 61.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.0 pt-20 -86.41 -6.71 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 132' ' ' LEU . 79.0 mtp180 -119.51 6.67 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.426 ' HD2' HH11 ' A' ' 136' ' ' ARG . 45.9 ttm180 -75.42 109.42 8.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.507 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -88.81 -30.24 19.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.547 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.43 106.16 37.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.198 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.81 128.56 29.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.014 1.81 . . . . 0.0 111.398 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -50.27 -43.96 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 43.8 mt-10 -60.76 -47.51 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.102 -179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.41 -35.37 75.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.93 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.2 mtt180 -64.9 -46.6 81.04 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -58.81 -50.3 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.483 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.494 ' NZ ' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -66.27 -40.29 90.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 -179.35 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.61 -31.59 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.373 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -32.37 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.892 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.13 -45.85 65.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.494 ' HE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.5 m0 -66.66 -23.26 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.89 25.63 6.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.556 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.44 174.13 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.086 0.47 . . . . 0.0 111.618 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -115.76 131.56 56.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.414 178.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.529 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -95.14 140.65 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 111.418 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.406 HG13 HG23 ' A' ' 126' ' ' VAL . 9.2 p -135.34 154.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.484 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.47 144.31 26.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 164' ' ' ASN . 34.2 p -150.73 165.09 34.54 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.044 0.45 . . . . 0.0 111.493 -179.711 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -139.62 111.94 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.418 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -66.96 -3.03 6.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -93.53 -42.39 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 70.7 p -94.61 -4.93 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.465 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 35.56 38.82 0.05 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.908 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.42 -55.66 5.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.113 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.402 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.8 m-20 -111.62 15.62 20.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.593 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -64.45 -39.41 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.75 0.309 . . . . 0.0 110.987 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.55 -21.74 60.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.65 -32.01 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 165' ' ' VAL . 6.3 m -77.61 -29.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -73.79 -43.53 58.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.779 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -72.06 -46.39 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.493 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 15.4 t70 -57.71 -41.31 81.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.5 tp -71.34 -32.51 68.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.744 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.0 ttm -66.18 -37.44 85.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 88.9 mtm180 -68.45 -47.79 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.915 -179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.7 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.565 0.221 . . . . 0.0 111.521 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 81.2 mt -69.52 -53.49 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.1 ptm180 -71.67 -23.64 61.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.3 m -88.07 -59.82 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.461 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 57.1 tttp -71.14 -54.09 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 57.1 tttm -61.91 -59.43 5.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.462 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.8 mmt -54.28 -18.67 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.676 0.274 . . . . 0.0 111.612 -179.294 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 34.8 t . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.254 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.714 0.292 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.03 161.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -129.8 109.97 11.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.03 138.9 39.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 95.3 mttt -105.33 146.01 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 111.258 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.6 114.93 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mm -99.14 107.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.9 tpt -69.96 85.81 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.6 p -99.14 163.6 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.529 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 172.23 -160.59 32.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.7 t -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.29 34.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.215 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.31 51.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.94 14.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.9 58.43 2.01 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.393 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.6 mttp -76.62 -52.07 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 63.3 p -55.2 -30.36 59.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.278 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.7 -52.78 48.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.584 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.98 -24.78 63.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 28' ' ' SER . 35.5 m -70.28 -45.86 65.49 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.381 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.35 -29.71 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.455 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 13.4 mm100 -66.19 -36.27 82.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.96 -32.41 65.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.841 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.3 ttm -81.95 -49.4 10.33 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -103.34 -13.52 16.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 15.0 m-20 57.95 32.34 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.115 0.483 . . . . 0.0 110.061 -179.259 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.43 136.97 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.613 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -78.29 116.85 19.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 42' ' ' ASP . 40.9 t -133.68 150.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.53 19.47 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.127 -179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.538 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.9 t70 -61.75 152.18 31.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -121.12 129.52 53.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -124.22 104.86 31.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.38 152.5 53.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 m -110.29 122.74 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.002 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -134.25 -65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -3.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.59 126.4 35.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.757 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -108.17 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -93.03 163.92 13.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -151.31 135.39 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -155.71 147.22 22.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.764 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -99.96 124.79 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.37 140.56 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.96 139.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HH11 ' A' ' 177' ' ' ARG . 65.7 tp -144.21 114.63 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.33 30.97 17.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.21 20.53 57.03 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.677 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.37 113.93 10.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.01 114.28 21.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.79 158.84 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.25 147.77 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.55 126.63 75.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -114.83 114.05 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.4 mt -116.56 144.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.585 ' HG ' ' H ' ' A' ' 69' ' ' THR . 41.3 tp -106.93 134.46 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.549 179.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.71 -32.17 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.585 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 62.2 p 51.61 -176.31 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.653 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -175.04 -172.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.318 179.6 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 mt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.043 0.449 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.4 -32.29 68.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.253 -179.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.92 -31.06 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.362 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -49.88 -42.9 48.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -61.13 -32.87 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.578 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -84.22 -21.64 31.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -76.81 -35.5 57.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.177 -179.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -92.57 6.44 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.89 160.1 13.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 9.1 mm-40 -108.27 -59.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.373 . . . . 0.0 110.644 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -88.46 154.03 24.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.087 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -135.25 132.47 37.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.659 0.266 . . . . 0.0 111.057 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.92 102.27 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.909 179.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.09 121.29 26.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 126' ' ' VAL . 15.8 t -128.45 140.83 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.057 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -149.46 150.77 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.495 178.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 45.2 m -87.36 143.82 27.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.045 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.1 pt -75.75 -41.82 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.7 t -69.42 -10.13 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -118.62 96.72 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.98 -17.15 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.33 -26.19 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 19.5 m -70.16 -53.72 16.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.252 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -54.4 -36.13 63.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.17 -53.26 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.0 70.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.066 0.46 . . . . 0.0 110.81 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.69 ' HB ' HD11 ' A' ' 91' ' ' LEU . 21.7 p -71.86 -30.96 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.95 -41.91 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.917 -179.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HG3' ' HD1' ' A' ' 107' ' ' PHE . 7.4 pt-20 -73.57 -42.67 61.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.581 0.229 . . . . 0.0 111.261 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.465 ' HD1' ' HG3' ' A' ' 106' ' ' GLU . 8.5 m-85 -55.92 -27.86 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.769 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 3.2 tmt_? -53.85 -47.36 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.9 mt-10 -70.77 -38.21 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.86 -28.3 61.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.74 -48.2 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.28 -26.4 66.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 27.6 mmm180 -54.76 -50.23 68.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.285 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -72.74 -12.39 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.272 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -118.11 34.8 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -18.87 62.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.538 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -91.33 -19.49 22.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.7 168.46 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.78 -63.96 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -74.16 108.88 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.716 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -113.36 117.79 44.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.049 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.513 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.0 Cg_endo -68.98 97.14 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.133 1.889 . . . . 0.0 111.843 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 38.6 tp -122.52 156.22 34.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.687 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 24.2 tp -161.28 124.68 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.701 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.5 p -99.77 143.26 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.453 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 92' ' ' VAL . 7.9 p -144.42 156.59 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -119.57 109.59 1.69 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.188 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -80.13 -174.16 4.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.406 ' O ' HD11 ' A' ' 95' ' ' ILE . 10.0 mmmm 58.01 18.74 5.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.4 t -59.95 -17.88 41.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.374 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.02 -7.74 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.5 mt -109.43 79.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.7 -13.99 61.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -93.74 -24.07 17.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -100.7 0.12 38.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.4 ttm180 -66.84 107.95 2.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.32 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -94.74 -27.51 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.18 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.8 103.5 10.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.245 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.481 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 17.7 Cg_endo -59.3 126.57 21.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.04 1.826 . . . . 0.0 111.182 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -49.48 -43.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.497 -179.384 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.89 -49.58 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.271 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 36.1 tt0 -66.74 -31.63 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.543 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.46 66.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.5 mtt180 -72.45 -42.7 64.72 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.265 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -58.38 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.4 OUTLIER -67.71 -47.46 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 -179.578 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.701 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -58.59 -31.85 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.2 -32.71 73.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.83 -48.17 67.17 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.461 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 11.7 m0 -61.46 -25.8 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.639 179.582 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.67 7.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.63 159.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 111.81 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -98.12 136.03 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.797 178.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.8 t80 -100.8 142.99 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 111.484 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.31 155.11 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -93.41 144.74 25.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.2 p -150.34 152.56 34.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.65 -179.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 67.7 m -121.52 111.4 17.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.356 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -11.33 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.634 -179.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -87.67 -48.1 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.454 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 41.3 p -85.71 -6.57 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.18 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.576 0.548 . . . . 0.0 112.07 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.34 -56.22 4.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.873 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -112.41 17.64 19.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.591 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -65.02 -41.88 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.259 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -14.81 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.741 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.3 m -73.57 -26.87 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -70.94 -48.52 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.99 -40.77 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.303 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.01 -43.07 91.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.035 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.91 -32.92 70.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.86 -34.6 77.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.958 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.48 -47.28 76.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 71.9 mt -57.88 -32.42 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.37 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.468 HH11 HD23 ' A' ' 57' ' ' LEU . 57.2 mtp180 -75.12 -52.85 9.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.878 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 95.5 m -87.83 -59.21 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -178.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -60.53 -53.31 59.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -178.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 0.2 OUTLIER -64.05 -39.94 95.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.63 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 55.6 mtt -81.08 -17.92 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 94.6 p . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 120.711 0.291 . . . . 0.0 110.827 -179.815 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.26 128.16 34.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -98.19 107.66 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -104.49 143.84 32.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HG3' ' A' ' 87' ' ' GLU . 99.4 mttt -109.55 146.22 35.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HB ' HG12 ' A' ' 66' ' ' ILE . 3.3 t -128.84 116.94 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.326 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.517 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -104.95 106.09 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.803 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.18 103.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.2 p -116.92 151.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.033 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 166.41 82.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.819 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' THR . 24.7 t 60.26 -84.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 111.265 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.43 -48.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.089 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.6 86.08 0.38 Allowed Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.339 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 85.2 t -129.23 -62.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.745 0.307 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 146.21 44.35 0.04 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.376 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 73.0 mttt -56.52 -47.85 78.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.0 0.429 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -55.89 -29.79 60.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.3 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.11 -52.93 63.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.082 -179.081 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.3 mm? -63.22 -25.02 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 28.6 m -67.56 -43.5 80.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.682 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.05 -47.68 57.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.809 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB2' HG11 ' A' ' 165' ' ' VAL . 9.1 mm100 -58.79 -34.84 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.891 0.376 . . . . 0.0 111.012 -179.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -72.64 -29.23 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.712 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 tpp -82.69 -49.7 9.51 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -115.14 9.42 15.86 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.7 p30 41.72 36.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' HE22 ' A' ' 33' ' ' GLN . 38.3 tt0 -146.97 138.41 24.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.719 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' H ' HH11 ' A' ' 162' ' ' ARG . 62.5 t80 -84.39 105.86 15.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.65 140.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -89.58 132.16 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -147.67 -31.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.2 t80 58.95 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.86 111.99 65.26 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.92 127.37 17.6 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.402 2.068 . . . . 0.0 112.231 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -117.15 118.27 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.11 -45.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.341 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.69 -10.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.22 127.85 33.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 76.3 p -109.35 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -108.51 160.1 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.577 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -149.33 140.08 22.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 64' ' ' ILE . 40.3 ttpt -158.8 141.01 13.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.835 -179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -96.65 115.63 27.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.79 149.07 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.9 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 67.1 tp -146.25 115.47 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 57.3 30.93 19.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.61 -32.82 5.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.668 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.21 124.02 35.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.6 tt0 -87.15 120.29 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.75 147.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.82 140.22 34.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.9 tt -116.84 139.43 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.4 113.33 13.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.457 HG12 ' HB ' ' A' ' 17' ' ' VAL . 77.3 mt -107.93 145.81 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.06 114.53 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.62 136.95 45.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.682 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.1 p -107.68 -20.15 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.383 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.75 -168.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 179.85 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.524 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 121.096 0.474 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -65.66 -52.84 48.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.196 179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -57.39 -31.22 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.316 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 27.3 m-80 -52.28 -38.52 58.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.566 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.96 -41.42 95.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.347 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 114' ' ' VAL . 71.2 m-85 -67.95 -33.01 73.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.274 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -79.41 -11.89 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.3 m -98.74 13.85 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.517 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -134.41 -177.04 14.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.898 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 44.4 mt-10 -122.53 -56.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.672 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.94 160.22 22.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.223 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -130.89 139.95 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -127.9 105.1 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.762 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.675 HD11 ' HB ' ' A' ' 104' ' ' THR . 14.4 tp -82.93 124.32 30.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.07 107.79 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.46 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.591 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.3 p90 -114.88 168.55 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.658 179.195 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -104.11 139.41 39.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 26.9 pt -72.36 -39.0 62.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 40.3 p -65.37 -22.93 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.534 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -109.84 95.64 5.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.849 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -62.61 -15.62 52.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.81 -26.85 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.478 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 104' ' ' THR . 80.1 p -73.33 -54.78 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.903 -178.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -51.92 -34.61 42.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.754 -179.339 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.9 p -73.13 -54.21 9.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.94 93.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.201 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 91' ' ' LEU . 28.9 p -52.57 -31.44 36.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.183 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.65 -47.15 79.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.764 -179.248 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.89 -39.82 72.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 111.491 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.541 ' HA ' HE21 ' A' ' 110' ' ' GLN . 21.6 m-85 -54.62 -23.87 18.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.404 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -47.44 -44.18 24.65 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.114 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 43.5 mt-10 -70.4 -46.71 63.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.597 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.541 HE21 ' HA ' ' A' ' 107' ' ' PHE . 48.1 mt-30 -56.31 -36.77 69.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.658 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.8 mt -59.26 -46.93 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.76 -27.55 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 60.2 mtp180 -55.32 -50.92 68.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 83' ' ' PHE . 9.3 m -69.84 -19.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.647 -179.491 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.4 mmtt -117.83 39.41 3.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.58 61.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.391 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -100.79 -1.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.204 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 23.9 mm-40 -106.29 151.91 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.73 -62.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -84.67 121.08 27.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.0 mm -114.98 105.35 53.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.76 128.29 28.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.406 2.071 . . . . 0.0 111.982 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 56.3 tp -148.98 159.06 44.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 90' ' ' LEU . 55.9 tp -166.34 123.63 1.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.86 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.653 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -99.01 141.78 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.439 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 168' ' ' VAL . 21.4 t -144.84 151.89 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.757 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -124.2 110.87 1.5 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.102 179.608 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -82.45 -167.68 1.69 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.424 ' HG2' ' OG1' ' A' ' 96' ' ' THR . 10.4 tppt? 58.77 16.54 4.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 54.5 m -64.97 -8.16 14.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.11 -8.37 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.287 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.9 mt -117.01 80.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.54 ' HG2' HH22 ' A' ' 136' ' ' ARG . 42.3 mt-10 -71.79 -22.92 61.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.58 -9.08 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' A' ' 132' ' ' LEU . 45.9 mtp180 -115.78 1.15 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.31 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.54 HH22 ' HG2' ' A' ' 133' ' ' GLU . 41.7 ttm180 -64.92 113.19 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -87.61 -29.66 21.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.0 t -100.36 105.48 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.48 124.97 17.43 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.905 1.737 . . . . 0.0 111.392 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.52 -43.86 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.198 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.6 mt-10 -57.4 -48.25 79.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.29 -36.28 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.0 -28.83 67.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 99.3 mtt180 -64.19 -48.99 73.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -62.92 -48.72 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.855 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.8 73.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -53.36 -31.62 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -50.89 -49.03 60.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -71.9 -16.82 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.05 14.69 28.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.055 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.25 -176.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.187 0.518 . . . . 0.0 111.393 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.64 132.78 51.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.662 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.653 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.4 t80 -95.23 139.58 31.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.028 0.442 . . . . 0.0 111.358 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.32 152.97 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -92.63 141.07 28.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.467 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 54.8 p -146.12 158.29 43.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.997 0.427 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.3 m -134.42 108.97 8.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.4 -18.41 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.503 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -79.11 -25.54 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -101.37 -21.02 14.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.289 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.596 HH11 ' H ' ' A' ' 39' ' ' PHE . 8.6 mtm180 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.36 -56.17 4.66 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -111.04 19.46 18.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 33' ' ' GLN . 58.1 t -67.3 -49.55 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 0.0 110.954 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.77 -16.08 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.747 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -64.63 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 126' ' ' VAL . 4.0 m -81.3 -26.64 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.585 -179.334 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -73.37 -44.66 58.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -71.82 -32.59 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -67.09 -49.36 65.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.12 -32.5 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 40.6 ttm -59.31 -44.36 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -63.68 -34.14 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.12 -40.01 94.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.305 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.2 mt -66.68 -34.67 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.515 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 181' ' ' MET . 70.9 mtp180 -75.55 -40.45 56.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.711 0.291 . . . . 0.0 111.624 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -87.34 -58.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -67.12 -54.36 22.11 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 85.3 tttt -61.62 -50.79 71.16 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -66.71 -13.8 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.331 -0.198 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.884 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.85 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.95 106.85 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.008 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -105.25 128.41 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 59.2 mttp -103.65 134.22 47.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 0.0 111.54 -179.392 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -118.43 131.14 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.865 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.53 112.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.511 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 3.6 mmt -61.28 98.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.005 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.6 p -104.57 154.99 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.539 179.439 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 178.98 -161.12 27.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.707 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 55.1 p -62.07 -49.1 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.689 -179.832 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.86 -10.61 0.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.16 85.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 93' ' ' PHE . 29.0 m -135.33 -8.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 179.597 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.1 43.66 2.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.815 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 49.8 mtmt -59.35 -43.54 92.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.531 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.2 p -58.22 -29.1 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.97 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.67 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.766 -179.235 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.697 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -59.93 -25.25 65.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 HG21 ' A' ' 66' ' ' ILE . 22.5 m -74.15 -40.76 62.37 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.689 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.811 -179.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.563 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -74.39 -38.43 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -72.94 -37.14 67.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.737 0.303 . . . . 0.0 111.49 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 98.2 mmm -82.59 -50.13 9.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.25 -22.11 12.72 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 61.01 57.23 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.067 0.461 . . . . 0.0 110.246 -179.127 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -157.56 133.09 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.631 -179.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -94.34 106.08 18.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -152.73 150.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.17 106.83 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -163.25 138.91 6.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.54 153.23 50.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.0 125.9 8.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.58 149.18 68.81 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.396 2.064 . . . . 0.0 112.213 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 m -127.26 126.12 42.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.02 -51.96 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.0 -0.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -85.7 130.64 34.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.7 t -127.5 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 39.7 m-85 -107.9 146.49 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.763 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -144.97 138.66 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 111.064 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -151.97 144.83 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 34.0 mtmm -92.66 125.59 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.5 m -143.26 141.27 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.0 p -73.1 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -142.93 105.75 4.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 56.82 30.91 18.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.72 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.14 3.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.66 113.76 26.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.6 tt0 -79.71 115.24 19.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.911 179.765 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.04 141.25 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.606 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.5 mt-30 -81.16 138.1 35.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -111.5 130.06 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.583 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.6 t70 -110.93 113.91 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.571 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 31' ' ' THR . 73.0 mt -104.19 122.74 57.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 111.438 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.74 106.07 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.267 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.3 122.05 14.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.5 p -123.92 155.09 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.65 -178.29 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.942 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.036 179.699 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -57.04 -53.79 54.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -55.62 -34.46 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -62.78 -34.72 77.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.242 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -78.46 -34.13 47.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -74.93 -19.6 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -83.01 -24.33 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.124 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 t -73.22 -3.49 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.67 165.28 22.25 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.394 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -103.26 -44.51 5.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.6 166.5 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.449 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.28 141.31 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.45 108.74 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.58 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 7.3 tp -82.65 132.13 35.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.841 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.31 133.83 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HA ' HG11 ' A' ' 25' ' ' VAL . 13.1 p90 -145.29 156.16 43.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.641 178.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 t -95.97 145.91 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.555 HG12 ' HB3' ' A' ' 129' ' ' LYS . 10.6 pt -77.17 -36.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -67.88 -13.44 62.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.944 0.402 . . . . 0.0 110.612 179.479 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -121.34 93.5 4.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.56 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -61.7 -16.42 48.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.391 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.96 -26.97 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 22.4 m -69.95 -51.89 28.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.192 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -53.45 -40.09 64.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.225 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -72.69 -53.71 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.035 -179.423 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -35.83 74.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.9 p -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.87 68.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 48.0 mt-10 -68.66 -45.11 72.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.12 -23.85 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.88 179.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -48.07 -56.2 8.34 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.453 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.39 -35.6 73.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.444 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.3 mt-30 -57.08 -30.02 63.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.061 0.458 . . . . 0.0 110.644 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.51 -35.85 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.659 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.48 -25.37 65.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -50.32 -51.3 46.57 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -62.72 -35.58 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.59 ' HG2' HG23 ' A' ' 114' ' ' VAL . 66.9 mmtt -109.93 59.7 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -46.12 33.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.688 -179.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.64 -34.26 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.032 0.444 . . . . 0.0 110.018 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 54.05 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.582 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -119.85 -54.83 2.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.06 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 179' ' ' LYS . 73.4 mmtt -151.58 86.84 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.18 112.2 55.22 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.216 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.89 127.82 15.03 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.458 2.105 . . . . 0.0 111.821 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -140.27 148.13 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.525 ' H ' HD23 ' A' ' 123' ' ' LEU . 26.3 tp -155.8 112.13 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.788 178.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.645 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -90.19 137.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -178.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 168' ' ' VAL . 16.1 t -144.55 144.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.06 124.31 5.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.971 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -91.64 -166.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.701 0.286 . . . . 0.0 110.515 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.555 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.2 tppt? 65.62 8.72 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -57.71 -12.66 3.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.53 -9.14 16.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.397 . . . . 0.0 110.594 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.1 mt -120.9 94.79 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.85 -48.01 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.0 -18.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.784 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.595 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.1 mtt180 -104.32 20.45 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.6 ttm180 -94.36 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.281 179.566 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -81.06 -38.19 27.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.69 111.5 51.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.65 133.38 45.03 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.122 1.881 . . . . 0.0 111.33 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -52.81 -44.69 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.5 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.01 -49.4 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 -179.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.19 -34.31 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.408 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.82 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.382 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 93.3 mtt180 -73.8 -41.24 62.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.336 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -61.35 -42.2 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.453 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.512 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.3 tmmm? -74.92 -48.58 23.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -56.35 -37.9 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.433 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.45 -31.27 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.1 -47.26 61.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.512 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 37.5 m0 -64.02 -19.2 65.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.1 13.23 37.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.998 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 123' ' ' LEU . 12.7 m -114.83 -178.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.12 0.486 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -121.18 129.37 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.063 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.645 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.7 t80 -95.46 139.87 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.587 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.6 152.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.422 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.99 148.13 23.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.336 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.2 p -151.72 166.49 31.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 0.0 111.79 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -139.14 112.81 8.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.184 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.05 -4.56 4.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.426 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -96.9 -55.51 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.04 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 59.2 p -76.87 -9.18 58.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? 35.17 39.06 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.964 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.45 -55.52 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.05 15.93 25.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.571 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -66.66 -43.37 90.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -73.07 -15.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.203 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.79 -34.11 71.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.512 -179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -71.84 -30.53 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.777 0.323 . . . . 0.0 111.255 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.15 -44.73 45.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.236 -179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -72.32 -36.75 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.56 -47.29 82.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.88 -32.48 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.53 -46.28 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.2 -34.64 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 23.8 mm-40 -64.3 -30.85 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 99.0 mt -72.64 -51.41 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.292 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.7 ptm180 -67.11 -23.26 65.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.662 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.7 m -88.07 -59.58 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.57 ' HG3' ' HD2' ' A' ' 120' ' ' LYS . 0.5 OUTLIER -71.03 -55.85 7.4 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.494 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.05 -59.94 4.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -55.14 -19.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.155 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 179.94 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.7 mp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.03 176.8 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.751 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.61 106.13 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -107.59 146.06 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 68.1 mttm -124.76 117.03 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -101.82 116.23 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.629 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' HA3' ' A' ' 86' ' ' GLY . 36.6 mm -85.7 128.58 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.624 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -84.11 93.17 8.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.8 p -114.05 156.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.455 179.593 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.564 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 158.87 86.92 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.155 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.577 ' N ' HG22 ' A' ' 104' ' ' THR . 27.6 t 59.24 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.956 0.407 . . . . 0.0 111.045 179.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 174.33 -87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.015 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.13 67.88 3.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.982 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 93' ' ' PHE . 96.5 t -114.21 -46.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.432 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.13 33.83 0.4 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.331 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 46.4 mtmt -55.4 -31.51 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.4 p -68.78 -30.16 68.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.761 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.3 -52.31 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.876 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -57.12 -25.14 58.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.272 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.7 m -74.19 -50.48 19.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.88 -38.55 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.275 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HB2' HG21 ' A' ' 165' ' ' VAL . 11.9 mm100 -64.81 -40.46 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.378 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.87 -30.78 64.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 31' ' ' THR . 96.6 mmm -80.3 -49.27 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.64 -7.87 14.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 27.4 t70 56.03 45.17 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 109.908 -179.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' HH11 ' A' ' 162' ' ' ARG . 9.5 tp10 -154.37 131.59 11.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.03 -179.348 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' HE22 ' A' ' 33' ' ' GLN . 71.0 t80 -85.86 105.86 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.8 p -118.05 142.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.7 -36.88 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.1 t70 -64.12 137.46 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -121.39 162.3 20.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.73 100.53 19.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.96 139.56 47.56 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.411 2.074 . . . . 0.0 112.267 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' H ' ' A' ' 68' ' ' ASP . 86.3 m -86.4 145.15 26.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -135.39 -41.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.45 -3.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.71 137.47 33.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 m -109.31 156.13 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -110.58 155.7 21.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -148.89 150.89 33.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -166.06 154.17 10.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -115.77 127.79 55.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.22 159.8 28.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.41 141.62 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' SD ' ' A' ' 173' ' ' MET . 56.0 tp -140.55 99.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.681 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.91 30.87 16.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.35 -36.37 4.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -79.57 128.36 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.022 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -100.61 114.33 27.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.993 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.38 157.37 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.005 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.12 141.71 28.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 tt -117.69 144.04 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.729 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 9.2 t70 -135.99 121.8 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.027 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -106.81 126.31 62.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.546 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.0 tm? -128.79 135.46 49.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.546 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.4 t70 65.81 121.69 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.308 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 28' ' ' SER . 75.1 p -135.22 14.05 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.31 164.95 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.923 0.392 . . . . 0.0 111.394 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.267 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.565 179.915 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 43.8 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.0 0.428 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -59.77 -36.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.174 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.39 -33.07 71.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.53 -34.47 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.35 -46.68 39.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.363 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 68.1 m-85 -62.87 -24.35 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.73 -39.24 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.0 p -73.15 -1.17 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.032 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.55 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -112.09 175.12 16.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.681 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -119.78 -50.5 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.01 169.95 23.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.976 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -139.84 138.64 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.057 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 168' ' ' VAL . 4.2 tp -130.2 103.93 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.649 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.2 tm? -85.79 125.85 33.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.44 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.49 135.34 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.799 0.333 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.536 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -138.09 150.8 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.722 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 m -89.06 134.66 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.491 HD13 ' HE ' ' A' ' 136' ' ' ARG . 42.4 pt -67.7 -31.85 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -25.43 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.68 99.56 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.034 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -62.79 -16.46 58.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.69 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.59 -27.76 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 104' ' ' THR . 89.6 p -70.57 -53.72 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.74 -39.32 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.9 p -73.05 -53.84 10.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.432 -179.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.36 80.59 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.332 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.649 ' HB ' HD21 ' A' ' 91' ' ' LEU . 19.6 p -55.18 -31.37 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.171 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.239 -179.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.0 -40.64 98.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.751 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.99 -25.46 66.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -50.7 -44.33 57.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.929 0.395 . . . . 0.0 110.672 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 40.7 mt-10 -70.84 -42.04 70.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.068 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -56.28 -36.77 68.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.131 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.4 mt -59.0 -47.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.0 -29.97 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 56.2 mtp180 -60.95 -51.03 70.97 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 111.673 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 5.3 m -66.98 -13.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.557 -179.661 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -124.18 28.69 6.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.759 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.58 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.41 -25.75 38.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.731 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.34 -178.26 7.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -126.0 -59.98 1.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -81.98 112.15 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 179.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.63 104.32 54.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.75 131.14 24.99 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.319 2.013 . . . . 0.0 112.157 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.0 tp -143.17 158.8 43.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -166.42 120.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.066 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -100.98 143.68 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.978 -178.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.503 HG21 ' HB ' ' A' ' 168' ' ' VAL . 87.7 t -143.47 146.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.97 130.08 9.85 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.245 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -94.57 -174.32 3.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.689 0.28 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.8 mmtp 57.24 16.98 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.395 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 68.2 m -59.06 -14.69 10.56 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.312 -179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 158' ' ' SER . 5.9 p-10 -73.44 3.92 5.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.974 0.416 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.3 mt -128.08 54.56 1.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.748 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.0 -11.26 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.57 -21.1 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.275 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -128.25 18.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.694 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.491 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.5 ttm180 -62.02 108.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -74.73 -33.54 62.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.684 -179.295 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 63.0 t -96.89 106.95 34.24 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.383 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.76 132.63 52.91 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.293 1.995 . . . . 0.0 111.791 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -57.38 -39.82 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -64.29 -40.32 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.19 -28.2 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.16 -52.87 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.786 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 74.5 mtt180 -54.6 -45.68 73.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.33 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -56.93 -31.55 65.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.99 0.424 . . . . 0.0 110.498 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -75.03 -48.37 24.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 179.614 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -54.42 -43.35 71.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.475 -179.341 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.28 -32.62 56.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.266 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.4 -47.94 62.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -72.63 -21.4 61.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.73 26.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.963 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.442 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.3 m -112.7 173.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.117 0.484 . . . . 0.0 111.198 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -116.46 130.31 56.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.665 178.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.9 t80 -94.84 135.55 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.025 0.441 . . . . 0.0 111.177 -179.39 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.27 146.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -89.66 133.66 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.195 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 164' ' ' ASN . 33.3 p -143.22 148.32 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.002 0.43 . . . . 0.0 111.45 -179.303 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 131' ' ' ASP . 29.7 p -123.5 107.82 11.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.775 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.58 -13.74 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -70.19 -40.1 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.344 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 69.8 p -99.85 -13.01 19.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.579 HH11 ' HA ' ' A' ' 38' ' ' GLU . 5.8 mtm180 50.56 34.26 9.29 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.52 -55.8 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.463 ' HB3' HG22 ' A' ' 157' ' ' THR . 4.5 m-20 -110.95 14.02 22.06 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.079 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.6 p -66.01 -41.65 90.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.383 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.34 -19.93 60.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.614 178.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.36 -36.66 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.214 -178.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 165' ' ' VAL . 13.0 p -71.2 -34.12 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.553 -179.088 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -70.72 -41.87 71.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.53 -36.76 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.462 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.51 -53.89 12.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.174 -179.523 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.9 tp -58.77 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.23 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.439 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.8 ttm -57.32 -47.87 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.308 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.22 -37.32 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.4 -39.3 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.713 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 57.4 mt -62.7 -35.42 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 43.6 mtm180 -75.84 -47.54 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 182' ' ' SER . 68.6 m -87.44 -59.2 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.9 -54.06 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -60.28 -56.3 23.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.734 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.4 mmt -62.16 -18.64 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -95.25 160.39 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 tp -124.62 107.68 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -108.55 145.84 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.9 mttt -118.89 137.17 53.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.35 . . . . 0.0 111.335 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.28 132.92 67.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.107 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -113.54 111.57 36.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 3.5 mmt -63.8 97.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 90' ' ' LEU . 9.9 p -101.28 157.17 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 175.5 -164.41 34.74 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.387 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 104' ' ' THR . 14.8 t -59.58 -32.57 70.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.788 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.87 -17.41 1.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.808 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 26' ' ' GLY . . . -148.47 -109.95 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 179.711 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.2 t 70.04 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.459 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 109.3 37.67 1.92 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.646 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 8.9 ptpp? -57.32 -30.2 64.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.3 p -69.45 -29.46 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.974 179.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.16 -52.57 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.737 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.1 mm? -60.53 -25.12 65.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 HG21 ' A' ' 66' ' ' ILE . 44.8 m -70.49 -39.79 73.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.362 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.56 -44.68 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.608 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 9.8 mm100 -58.26 -38.12 76.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 111.281 -179.346 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -73.13 -25.89 61.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.602 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.3 tpp -82.45 -50.12 9.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -123.09 -7.5 8.31 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.2 t70 59.48 59.86 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.086 0.47 . . . . 0.0 110.356 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HH11 ' A' ' 162' ' ' ARG . 34.6 tt0 -162.5 127.38 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.978 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -90.91 111.83 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.47 149.73 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.98 96.14 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -161.53 126.4 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -137.9 148.94 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -141.7 130.52 12.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.01 147.88 71.96 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.7 m -130.08 127.75 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -119.14 -34.01 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.1 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.407 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.98 134.95 35.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -127.67 174.34 9.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -113.7 155.79 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -140.45 152.42 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -164.51 170.25 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.659 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -119.15 133.3 55.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.308 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.56 141.33 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.939 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.3 p -92.34 137.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.005 0.431 . . . . 0.0 111.44 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.33 103.08 8.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 43.54 31.17 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.802 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.03 -48.11 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.054 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -87.59 117.01 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 111.502 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.1 tt0 -86.13 122.98 30.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 13' ' ' ALA . 33.6 m -130.14 139.51 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -83.96 161.63 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.219 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.512 HD12 ' HE2' ' A' ' 173' ' ' MET . 17.8 tt -139.22 144.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.567 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.1 t70 -120.52 118.91 31.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 31' ' ' THR . 47.9 mt -103.6 124.05 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.094 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 67' ' ' LEU . 2.6 tm? -99.86 118.9 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.2 110.0 14.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.3 p -101.13 178.76 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.64 -163.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.166 179.479 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -64.15 -34.19 77.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.282 -179.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.0 -30.83 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.981 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.2 -38.15 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.528 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.53 -46.41 76.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -179.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.595 ' HB2' HG11 ' A' ' 114' ' ' VAL . 37.9 m-85 -61.98 -38.27 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -74.31 -11.02 60.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -94.08 9.46 37.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 -175.77 14.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.627 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -122.26 -32.92 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.7 169.68 13.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.46 141.43 47.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' C ' HG12 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -130.69 105.78 8.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.632 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 104' ' ' THR . 8.4 tp -81.76 128.42 33.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.335 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 126' ' ' VAL . 35.2 t -133.86 128.34 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.031 -179.361 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.0 p90 -144.32 153.41 41.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.593 178.666 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 t -94.6 150.0 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.387 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 24.4 pt -74.68 -37.46 43.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 95' ' ' ILE . 61.9 p -66.84 -26.46 66.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -104.53 89.52 3.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.74 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.94 -16.64 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.46 -26.41 60.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' THR . 19.9 m -70.1 -53.52 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.565 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -51.64 -38.97 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 0.0 111.736 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.6 p -72.73 -53.85 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.289 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.07 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.551 -179.278 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.5 p -55.18 -31.5 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.92 78.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -36.27 79.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.703 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.1 m-85 -70.05 -25.72 63.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -48.98 -54.56 15.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.86 -34.55 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -65.19 -24.54 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.46 HG22 HG21 ' A' ' 121' ' ' ILE . 98.2 mt -66.06 -47.28 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.242 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.04 -27.36 66.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.9 mmp_? -63.07 -49.59 73.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.3 m -69.28 -12.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.454 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 114' ' ' VAL . 72.3 mmtt -123.61 43.27 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.19 -15.26 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.276 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.96 -25.2 16.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.03 163.41 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -115.55 -17.0 11.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -143.19 105.34 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.46 HG21 HG22 ' A' ' 111' ' ' ILE . 4.1 mp -99.26 113.65 64.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.463 ' HG3' HG12 ' A' ' 176' ' ' ILE . 46.2 Cg_endo -67.74 123.44 10.74 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.29 1.993 . . . . 0.0 112.155 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -128.01 157.0 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 tp -159.46 124.36 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 179.553 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.595 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.5 p -104.59 143.94 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.956 0.408 . . . . 0.0 111.756 -178.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 92' ' ' VAL . 6.5 p -143.52 154.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.083 179.494 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -125.05 105.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.84 179.443 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.59 -171.14 3.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.693 0.282 . . . . 0.0 110.402 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 62.69 15.46 8.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.9 m -63.82 -8.49 10.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.61 -9.75 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' HD2' ' A' ' 135' ' ' ARG . 24.1 mt -116.89 87.67 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.968 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.15 -28.16 62.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.93 -6.47 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.334 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -117.92 14.92 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.25 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.0 ttm180 -82.66 110.47 17.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.51 -34.05 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.97 108.27 57.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.75 135.9 69.32 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.141 1.894 . . . . 0.0 111.318 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -50.06 -42.71 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.396 -179.456 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.35 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.357 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.67 -36.42 71.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.0 mtt180 -66.62 -44.11 82.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.111 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -58.8 -39.45 81.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.536 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.418 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -76.57 -42.24 43.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.016 -179.5 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -59.95 -48.64 80.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.999 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -53.9 -32.3 52.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.888 -179.176 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -52.23 -38.18 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 111.179 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.418 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 20.3 m0 -78.74 -18.44 54.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.99 21.44 11.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.123 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.47 177.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.028 0.442 . . . . 0.0 111.456 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -120.92 130.09 53.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.788 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.595 ' HD1' HG22 ' A' ' 125' ' ' VAL . 25.4 t80 -95.25 141.19 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.326 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.35 154.05 29.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.222 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -89.93 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.2 p -151.23 170.03 20.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.487 -179.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -148.64 113.95 5.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.671 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.33 -3.11 12.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -91.95 -37.77 12.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 80.7 p -94.87 -19.04 20.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.461 HH11 ' HA ' ' A' ' 38' ' ' GLU . 7.6 mtm180 50.56 32.13 6.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.349 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.97 -56.26 4.63 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.81 21.75 15.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 168' ' ' VAL . 2.9 p -66.52 -43.14 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.76 -14.71 61.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -58.94 -39.21 80.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.673 -179.237 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 35.6 m -75.63 -26.83 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -73.95 -47.38 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.217 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.59 -44.91 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.308 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.78 -52.37 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.014 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.93 -34.67 73.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.512 ' HE2' HD12 ' A' ' 64' ' ' ILE . 50.4 ttm -58.61 -47.24 84.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.5 -34.03 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.21 -36.28 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.463 HG12 ' HG3' ' A' ' 122' ' ' PRO . 67.6 mt -69.71 -52.6 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 181' ' ' MET . 52.2 mtp180 -55.86 -38.03 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.015 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 81.5 m -87.09 -58.57 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -69.7 -53.5 18.23 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.2 tttt -63.36 -35.17 79.5 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.205 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.447 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -81.98 -12.72 58.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.228 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.0 p . . . . . 0 C--N 1.332 -0.163 0 CA-C-O 120.702 0.287 . . . . 0.0 111.014 -179.766 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.55 129.88 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.4 108.56 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.7 114.58 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -93.89 141.17 28.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.13 139.22 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 19.2 mm -113.19 130.8 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -179.73 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.517 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -82.49 96.23 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.681 179.479 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.6 p -101.13 157.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 179.43 -167.01 36.75 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.724 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 70.8 p -61.08 -46.42 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.07 18.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.479 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.23 65.5 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.539 HG13 ' OG ' ' A' ' 94' ' ' SER . 13.6 t -126.14 -40.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.699 0.285 . . . . 0.0 111.297 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.32 38.16 0.23 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 7.7 mtmp? -59.8 -36.03 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -71.82 -30.09 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.203 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.33 -52.89 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.895 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.319 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.552 HG23 HG21 ' A' ' 66' ' ' ILE . 97.2 m -68.53 -46.44 69.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.277 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.04 -32.44 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.7 mm100 -61.82 -34.96 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -72.99 -27.87 62.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.553 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 tpp -82.6 -49.48 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -108.23 -10.45 15.38 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -177.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.37 28.2 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -143.28 152.09 41.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.999 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -94.64 120.91 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 42' ' ' ASP . 20.1 t -126.89 148.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.011 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.6 9.1 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' H ' HG12 ' A' ' 40' ' ' VAL . 7.9 m-20 -101.66 148.94 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -141.71 165.59 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.79 128.02 15.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.87 156.97 21.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.334 2.023 . . . . 0.0 112.154 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.479 HG21 ' H ' ' A' ' 69' ' ' THR . 91.7 m -131.47 114.27 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -117.01 -40.75 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.26 0.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 132.96 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -122.2 172.8 8.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -115.5 154.56 29.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -135.73 137.79 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.41 . . . . 0.0 110.934 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -147.74 154.37 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 36.5 mtmm -118.68 120.84 38.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.73 147.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.003 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -81.66 143.82 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 61.2 tp -135.34 104.56 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.22 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 53.89 31.08 12.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.17 -42.13 2.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.602 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -91.25 118.15 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.8 tt0 -85.63 131.43 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.66 148.45 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.032 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.8 mt-30 -81.26 138.64 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -118.89 137.94 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.366 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.2 123.37 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.678 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.552 HG21 HG23 ' A' ' 31' ' ' THR . 58.3 mt -110.2 141.99 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.5 OUTLIER -129.28 114.28 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.126 179.705 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -54.41 -53.38 54.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.994 -179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.479 ' H ' HG21 ' A' ' 46' ' ' THR . 23.1 m 75.03 -38.6 0.38 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.916 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.89 -174.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.059 179.512 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.979 0.418 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 66.3 mtm180 -53.78 -48.39 69.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.91 -31.76 60.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.92 -44.97 94.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.78 -49.95 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 -179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -62.91 -23.25 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -84.24 -28.77 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -55.51 -38.47 69.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -110.58 159.0 14.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.657 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -96.75 -14.48 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.22 158.05 15.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.683 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -136.14 134.31 38.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 124' ' ' LEU . 18.7 mt -129.12 102.18 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -84.11 123.17 29.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.567 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 30' ' ' LEU . 42.2 t -129.03 137.54 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.532 ' HA ' HG21 ' A' ' 25' ' ' VAL . 8.4 p90 -146.65 152.69 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.391 178.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.539 ' OG ' HG13 ' A' ' 25' ' ' VAL . 73.7 m -87.55 135.19 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.303 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.12 -36.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.706 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.0 t -71.18 -22.94 61.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 96' ' ' THR . 46.6 mt-10 -108.3 93.05 4.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.36 -16.23 53.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.071 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.13 -26.89 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.362 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -70.71 -51.98 23.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.337 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.53 -39.21 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.4 -53.64 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.891 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.09 -36.13 76.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.607 ' HB ' HD11 ' A' ' 91' ' ' LEU . 11.8 p -60.62 -31.71 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.15 0.5 . . . . 0.0 110.462 179.385 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.2 79.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.08 -42.9 99.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.61 -27.63 69.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HA ' HD12 ' A' ' 111' ' ' ILE . 4.3 tmt_? -55.24 -43.19 74.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.66 -30.12 66.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.023 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.81 -25.95 62.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 108' ' ' ARG . 72.4 mt -58.2 -38.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.326 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.48 -26.15 65.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -51.7 -51.22 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -62.91 -38.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.029 0.443 . . . . 0.0 110.465 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 114' ' ' VAL . 25.4 mmtp -99.76 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.42 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.91 -37.6 6.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.504 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.13 -44.35 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.123 0.487 . . . . 0.0 109.794 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 121' ' ' ILE . 30.6 tt0 60.04 111.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.068 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.504 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 12.0 m-20 -149.58 -68.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.691 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.504 ' HD2' ' C ' ' A' ' 119' ' ' ASP . 2.9 mptp? -136.92 82.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.491 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 118' ' ' GLU . 4.7 mp -86.08 114.4 57.02 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.073 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.49 119.5 6.54 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.355 2.037 . . . . 0.0 111.811 179.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.2 tp -143.23 161.38 38.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' A' ' 90' ' ' LEU . 59.9 tp -168.85 127.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.622 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -98.7 142.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.086 0.47 . . . . 0.0 111.603 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 168' ' ' VAL . 19.2 t -143.87 139.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.702 179.512 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.74 129.27 9.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.286 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.9 -166.65 1.41 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 132' ' ' LEU . 74.5 mmtt 59.72 21.51 10.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -57.62 -30.69 65.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.83 -21.59 43.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.04 0.448 . . . . 0.0 110.403 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 135' ' ' ARG . 43.1 mt -93.84 66.38 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.59 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.8 -13.97 62.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.83 -12.63 30.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.535 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.1 mtt180 -107.48 -6.68 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm180 -60.91 108.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.689 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.57 -17.73 15.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.82 100.64 13.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 13.4 Cg_endo -57.66 139.29 89.76 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.198 1.932 . . . . 0.0 111.696 179.553 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 89.0 t -53.93 -47.89 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.617 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.48 -42.02 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.703 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.402 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 39.1 tt0 -74.96 -31.21 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.695 0.283 . . . . 0.0 111.325 -179.586 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.35 -31.06 60.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.452 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 42.5 mtt180 -77.57 -33.68 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -66.23 -53.6 35.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.262 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.61 99.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.03 -36.33 77.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.32 -32.74 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.0 -41.52 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -69.26 -29.2 67.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.8 32.25 2.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.8 177.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.654 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -120.82 137.8 54.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.95 179.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.622 ' HD1' HG22 ' A' ' 125' ' ' VAL . 42.4 t80 -102.52 138.68 39.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.921 0.391 . . . . 0.0 111.363 -179.494 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.67 154.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.56 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.1 135.73 33.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -149.48 162.37 40.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 111.542 -179.414 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -133.08 110.44 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.497 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.4 -3.55 6.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.66 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.27 -43.14 12.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.8 p -98.84 0.43 44.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.332 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.0 ppt_? 33.5 47.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.195 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.2 -55.81 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.979 -179.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.7 m-20 -112.04 6.89 19.55 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.439 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 168' ' ' VAL . 14.7 p -57.63 -41.31 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.86 -14.91 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -31.28 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.881 -179.05 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 126' ' ' VAL . 3.9 m -71.13 -28.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.481 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -74.34 -43.39 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.79 -34.3 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.87 -45.58 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 175' ' ' GLU . 44.9 tp -72.77 -42.39 64.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 23.5 ttp -54.22 -36.44 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.73 -36.17 75.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.557 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -78.27 -25.15 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.37 -179.412 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.7 mt -65.1 -50.33 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.27 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 9.5 ptm180 -73.98 -24.05 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.6 m -88.35 -60.19 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -71.11 -54.42 11.17 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.9 tmtm? -61.54 -51.88 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.131 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.492 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -64.03 -13.92 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.498 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.284 . . . . 0.0 111.092 -179.866 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.49 174.3 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -134.86 123.21 23.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB3' HD13 ' A' ' 176' ' ' ILE . 34.5 m-70 -116.69 112.53 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -83.74 145.76 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 66' ' ' ILE . 1.3 t -127.31 120.19 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.36 -179.48 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.8 mm -99.07 108.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.963 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.586 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.1 tpt -70.98 92.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.0 p -104.32 159.49 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.323 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.92 -164.12 31.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.549 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.518 ' HB3' HG23 ' A' ' 25' ' ' VAL . 17.8 t -59.68 -31.29 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.072 -179.779 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.88 22.75 5.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.348 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.39 39.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.23 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 22' ' ' SER . 75.4 t -100.73 -45.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.333 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.63 38.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.181 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.9 mttt -53.45 -36.27 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -67.71 -30.41 69.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -52.07 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.019 -178.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.56 -24.55 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.1 m -72.43 -48.12 43.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.773 -179.471 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.3 -33.5 69.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.81 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HB2' HG21 ' A' ' 165' ' ' VAL . 28.3 mm-40 -65.35 -32.69 74.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.983 0.42 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -73.49 -40.8 63.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.933 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.446 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 42.5 ttm -82.31 -49.75 9.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -99.86 -26.51 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.132 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.2 m-20 58.88 40.57 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.094 0.473 . . . . 0.0 110.021 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.415 ' C ' HE22 ' A' ' 33' ' ' GLN . 38.7 tt0 -144.79 128.3 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -83.73 105.9 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.63 139.41 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -74.11 98.61 3.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.54 178.03 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -164.44 151.03 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.766 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.49 99.61 4.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.22 149.82 11.74 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.654 2.236 . . . . 0.0 112.686 -179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 68' ' ' ASP . 84.9 m -92.34 123.21 35.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.62 -69.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.034 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.74 6.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.295 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.56 136.44 32.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -114.57 157.47 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.763 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -101.47 152.68 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -144.06 132.84 22.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -149.29 144.57 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -95.8 116.3 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.59 153.88 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.5 p -103.54 145.04 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.267 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 174' ' ' ARG . 53.4 tp -150.2 123.62 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.2 30.89 17.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.587 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -29.3 5.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.445 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.16 115.75 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -74.23 117.09 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.46 143.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.39 159.11 24.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.185 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -130.58 137.86 55.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 13.7 t70 -137.53 113.56 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.159 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' A' ' 17' ' ' VAL . 82.7 mt -101.04 129.61 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -133.84 137.88 45.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 16.1 t70 68.42 129.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.278 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 9.8 t -154.38 -8.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 152.62 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.431 179.949 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.1 mt . . . . . 0 CA--C 1.528 0.104 0 CA-C-O 120.709 0.29 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -52.84 -36.09 58.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 179.825 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.42 -39.38 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.776 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -53.28 -35.32 59.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.206 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -67.52 -20.77 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.12 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -70.53 0.09 7.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.604 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -114.6 167.65 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.413 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -119.67 -49.11 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.56 159.35 28.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.404 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.72 129.0 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.4 mt -123.41 103.23 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -82.87 128.4 34.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.225 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 126' ' ' VAL . 61.1 t -131.16 140.36 48.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.995 -179.556 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.8 p90 -151.46 145.09 24.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.453 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' HG13 ' A' ' 25' ' ' VAL . 36.9 m -82.71 144.83 29.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.011 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 43.2 pt -76.02 -35.94 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.689 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 95' ' ' ILE . 34.9 p -68.92 -12.23 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.829 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.48 98.39 6.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.98 -18.08 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.42 -26.5 60.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.142 0.496 . . . . 0.0 110.435 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.3 m -67.96 -54.05 21.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.858 -179.037 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -59.34 -35.26 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.549 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.5 p -71.84 -53.42 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.776 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.88 85.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.9 p -57.96 -32.55 67.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.6 69.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.92 -45.48 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.609 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -59.48 -24.78 63.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -49.2 -48.39 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -36.17 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.28 -27.32 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.7 -43.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.446 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.58 -25.82 65.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.914 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -50.72 -50.99 54.01 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.6 m -69.53 -47.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.89 -179.292 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.7 mmtt -87.38 33.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.788 0.328 . . . . 0.0 111.072 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.83 57.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -96.62 -16.76 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -93.96 175.3 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.52 -48.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.406 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.4 mmtt -82.78 120.57 25.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.5 mm -123.81 104.12 33.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 36.7 Cg_endo -65.38 105.94 0.79 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.166 1.911 . . . . 0.0 111.872 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 54.6 tp -127.64 159.86 33.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 -179.706 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 55.5 tp -167.92 124.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 154' ' ' TYR . 1.9 p -92.45 143.0 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 0.0 111.176 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.575 HG13 HG11 ' A' ' 168' ' ' VAL . 15.9 t -136.13 114.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.73 8.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.104 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -102.08 -176.31 3.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.704 0.288 . . . . 0.0 110.392 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.403 ' HZ3' HD12 ' A' ' 132' ' ' LEU . 3.2 mmmp? 55.54 21.21 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 63.6 m -66.26 -6.19 13.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.77 1.21 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.498 179.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.403 HD12 ' HZ3' ' A' ' 129' ' ' LYS . 50.1 mt -128.1 51.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.61 -12.48 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.35 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.97 -31.66 56.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.03 24.54 10.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.341 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -59.89 109.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 17.9 mt-30 -72.75 -31.46 64.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.74 99.54 22.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 52.5 Cg_exo -54.66 131.96 48.79 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.163 1.909 . . . . 0.0 111.462 179.218 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.1 p -49.47 -46.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.486 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.6 mt-10 -54.41 -44.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.386 -179.363 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.78 -39.68 91.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.84 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 57.6 mtm180 -73.08 -37.73 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.685 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 40.8 t -66.11 -40.4 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.484 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -74.96 -46.91 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.043 -179.679 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -61.77 -42.43 98.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.689 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.63 -31.94 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 145' ' ' SER . 9.5 mm-40 -52.84 -45.47 67.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.553 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.456 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 12.4 m0 -66.91 -16.23 64.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 96.49 30.74 7.51 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.04 -176.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.379 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.63 128.6 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.5 ' HA ' HG13 ' A' ' 125' ' ' VAL . 26.2 t80 -96.09 134.84 38.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.16 153.32 37.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.41 138.49 31.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.6 p -145.27 152.84 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.576 -179.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.3 m -122.22 110.19 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -0.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.775 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.69 -49.83 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.755 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.4 p -87.35 -3.74 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.402 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? 35.13 44.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.906 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.6 -55.84 5.02 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.55 15.78 22.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.2 p -68.55 -44.77 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 10.5 m-20 -73.81 -15.43 61.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.337 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -75.17 -32.01 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.575 HG11 HG13 ' A' ' 126' ' ' VAL . 33.2 m -79.04 -26.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.207 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -71.43 -47.67 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.781 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.86 -29.7 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.38 -47.78 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.3 tp -71.69 -32.72 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.443 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.3 ttm -55.02 -39.09 68.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.449 ' HG2' HD21 ' A' ' 57' ' ' LEU . 85.2 mtm180 -68.7 -37.24 79.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.17 -27.15 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 173' ' ' MET . 95.0 mt -68.51 -54.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.819 0.342 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.431 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 13.6 ptm180 -70.15 -27.7 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.7 m -89.42 -60.54 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 80.0 tttt -71.17 -54.45 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -59.07 -45.64 90.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.623 0.249 . . . . 0.0 111.669 -178.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.431 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 43.3 mtt -64.32 -12.2 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.173 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.837 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.14 151.92 19.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -179.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -124.36 110.0 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.739 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.64 138.08 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.9 mttp -119.38 123.12 43.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -104.73 138.3 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 179.599 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -101.91 113.98 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.071 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 tpt -74.96 86.16 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.7 p -95.27 160.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 111.056 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.21 -171.44 43.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.374 -179.833 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 t -55.05 -44.22 74.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.753 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.06 -15.35 1.52 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.253 -179.805 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.34 68.58 0.13 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.4 m -117.93 -14.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 0.0 111.371 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.6 41.7 0.48 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.82 -52.38 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.81 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.3 p -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.297 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.24 -52.97 56.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 HG11 ' A' ' 92' ' ' VAL . 6.6 mt -61.19 -25.06 66.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.038 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.0 m -70.28 -44.2 68.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.263 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.37 -39.6 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.524 HE21 ' HB3' ' A' ' 162' ' ' ARG . 13.9 mm100 -56.27 -38.33 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -72.72 -25.41 61.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.293 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.1 tpp -81.88 -49.63 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.0 -7.68 10.35 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -177.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.5 t70 59.84 33.42 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 110.406 -179.689 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.46 131.95 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.84 110.13 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 42' ' ' ASP . 44.9 t -108.73 139.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.23 -32.24 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.5 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.8 t70 -62.45 106.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -80.89 173.67 12.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -146.33 103.73 4.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 154.79 19.44 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.362 2.041 . . . . 0.0 112.041 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 69' ' ' THR . 44.9 m -94.87 137.45 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.278 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.8 -61.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.509 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.02 -22.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -74.5 132.83 42.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.771 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.428 ' OG ' ' HG ' ' A' ' 67' ' ' LEU . 17.1 m -123.68 174.93 7.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 50.1 m-85 -98.47 146.92 25.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -149.92 137.78 20.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -156.23 172.84 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -105.98 124.73 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.89 149.68 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -95.53 134.77 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.441 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.6 tp -135.67 113.7 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.549 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 54.83 31.32 15.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.16 -32.48 6.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.36 113.76 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.3 tt0 -80.13 124.22 28.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.484 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.36 147.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.87 136.27 34.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -112.66 134.99 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -119.08 120.96 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mt -119.56 128.3 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.375 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HG ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -100.43 128.62 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 179.511 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.12 -50.04 49.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.538 ' HA ' HG21 ' A' ' 46' ' ' THR . 25.4 m 62.6 117.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.632 179.686 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.97 -170.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.366 179.853 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.87 0.367 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -64.26 -30.77 71.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.74 -31.3 71.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -51.03 -34.73 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.41 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -75.76 -35.37 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.817 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -83.21 -15.86 48.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -80.15 -40.09 28.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.702 0.287 . . . . 0.0 111.235 -179.433 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -90.6 14.01 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.32 158.98 13.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.824 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -107.85 -60.48 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 110.8 179.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -87.81 163.16 33.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.48 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -142.46 124.93 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 124' ' ' LEU . 28.6 mt -118.41 102.55 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 179.567 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.3 tp -83.03 123.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.398 179.641 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 30' ' ' LEU . 38.9 t -128.29 137.18 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 111.892 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HB3' HG21 ' A' ' 104' ' ' THR . 31.7 p90 -144.31 140.55 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.153 178.806 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 29.4 m -71.0 128.59 36.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.469 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 1.5 pp -63.26 -37.07 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.438 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 97' ' ' GLU . 8.0 t -74.21 -16.63 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 43.0 mt-10 -111.81 97.53 6.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.849 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.09 -16.29 59.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.41 -26.93 61.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.3 m -70.21 -45.78 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.099 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.32 -38.1 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -71.83 -53.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.51 -179.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.39 80.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.9 p -56.5 -37.68 70.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.9 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.15 66.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.482 -179.5 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.37 -45.57 75.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.7 -26.09 68.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 44.7 mt-10 -70.53 -39.72 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -57.13 -29.88 63.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.18 -48.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.36 -26.53 66.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 30.7 mmm180 -56.01 -50.29 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.8 m -72.94 -24.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.618 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.556 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.71 40.21 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.33 -9.8 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -98.16 -26.64 14.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.34 151.85 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -108.6 -32.91 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.5 96.51 10.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.652 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -108.89 104.7 55.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.515 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 37.5 Cg_endo -65.59 107.2 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.454 2.103 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -123.83 152.5 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.126 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 123' ' ' LEU . 53.9 tp -162.09 117.13 1.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.569 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.7 p -91.94 141.11 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.177 0.513 . . . . 0.0 111.576 -179.032 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 168' ' ' VAL . 16.9 t -132.15 148.47 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.85 129.08 9.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.27 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -107.79 -178.34 3.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.43 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 30.1 mmmt 57.94 18.21 4.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.414 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.0 t -60.42 -15.0 22.16 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.07 1.64 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 49.7 mt -121.5 67.66 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.86 -24.19 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.7 pt-20 -80.14 -24.54 40.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 88.5 mtt180 -101.32 -0.59 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.8 ttm105 -66.75 109.06 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.35 -26.01 18.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 93.9 t -102.16 103.72 32.08 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 23.3 Cg_endo -61.81 130.72 32.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.127 1.885 . . . . 0.0 111.36 179.125 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -48.71 -43.7 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.632 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.3 pt-20 -54.51 -37.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.5 tt0 -75.37 -44.41 45.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.726 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.55 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtt180 -70.87 -32.71 69.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.78 -51.45 55.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.005 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.36 84.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.3 98.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.436 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.62 -32.46 58.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.032 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.38 -48.05 68.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.795 179.571 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.88 -18.67 65.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.14 22.4 9.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.594 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.473 HG11 ' HB3' ' A' ' 123' ' ' LEU . 16.9 m -123.03 176.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.301 0.572 . . . . 0.0 112.253 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -119.94 134.16 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.738 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HD1' HG22 ' A' ' 125' ' ' VAL . 30.0 t80 -101.51 144.49 30.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 111.544 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.4 151.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.459 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.06 141.45 28.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 164' ' ' ASN . 25.9 p -152.38 158.43 42.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 111.599 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.0 m -122.43 111.19 16.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.28 -5.76 15.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.341 -179.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -89.31 -43.61 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.731 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.9 p -92.31 -4.32 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.524 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 34.7 39.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.638 0.586 . . . . 0.0 112.231 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.61 -56.48 4.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.769 -179.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.526 ' HB2' HG22 ' A' ' 157' ' ' THR . 83.5 m-20 -112.68 19.29 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.743 -179.708 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.4 -47.14 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.304 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.68 -14.84 61.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -64.49 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.029 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 126' ' ' VAL . 32.1 m -85.51 -27.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.31 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.49 -43.87 79.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.85 -30.05 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.931 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.16 -52.9 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.09 -35.11 76.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.072 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 11.0 ttp -54.66 -38.47 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -68.12 -34.25 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.48 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.992 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.592 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 70.3 mt -64.8 -34.89 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -76.1 -47.81 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.792 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.3 m -87.33 -59.03 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.86 -53.98 26.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -177.244 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 28.9 tptp -60.82 -46.09 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -13.26 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.468 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 110.631 179.788 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.8 155.2 16.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.654 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.46 119.39 31.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.264 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -113.82 106.36 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 90.0 mttt -88.26 124.97 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.478 -179.392 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.19 130.45 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -111.69 120.84 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.328 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 96.0 mmm -66.94 94.08 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.337 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.8 p -106.47 163.6 4.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.696 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.73 -149.64 11.15 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.509 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -66.22 -47.04 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.6 -13.84 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.169 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.755 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 93' ' ' PHE . 14.2 m -131.25 -27.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.9 34.94 0.09 OUTLIER Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 45.5 mtmt -58.24 -55.09 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 96.2 p -61.77 -30.83 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.154 0.502 . . . . 0.0 111.258 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.36 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.603 -179.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 92' ' ' VAL . 1.9 mt -61.1 -25.06 66.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.241 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.5 m -68.64 -50.16 53.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.75 -29.17 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 18.9 mm-40 -74.09 -28.44 61.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -73.6 -50.4 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.384 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 46.7 ttm -82.55 -50.29 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.224 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.02 -21.29 18.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 59.11 35.94 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.368 -179.588 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -141.82 128.53 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HB2' HE22 ' A' ' 33' ' ' GLN . 81.2 t80 -73.96 114.24 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 42' ' ' ASP . 47.3 t -129.4 123.7 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.63 -29.65 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' H ' HG12 ' A' ' 40' ' ' VAL . 11.3 m-20 -60.41 148.27 37.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -125.79 168.6 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.63 101.71 11.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.741 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -48.68 152.39 4.32 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.573 2.182 . . . . 0.0 112.484 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.6 m -112.48 143.52 43.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.425 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -139.91 -47.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.659 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.76 -11.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -74.3 127.63 33.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -115.99 168.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -114.43 149.05 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.5 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttm180 -150.94 137.95 19.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.55 141.75 17.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -80.13 130.29 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.24 151.6 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.66 138.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.0 tp -139.74 96.64 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 57.94 31.54 20.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -32.12 7.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' HG3' HG13 ' A' ' 62' ' ' VAL . 10.6 tp10 -79.15 116.17 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.785 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -85.9 117.42 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 60' ' ' GLU . 34.0 m -136.16 140.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.753 179.663 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 26.8 mt-30 -89.22 142.87 27.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.01 -179.541 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 tt -112.29 132.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 19.8 t70 -107.06 113.97 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.8 mt -106.22 145.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.26 105.48 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.24 131.18 49.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -131.0 105.08 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.27 -171.42 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.595 179.565 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.273 179.714 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -70.89 -31.24 67.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.8 -31.14 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -50.1 -40.71 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -61.27 -35.73 78.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.4 m-85 -75.29 -19.99 59.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.074 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HA ' ' HB ' ' A' ' 114' ' ' VAL . 75.3 ttt180 -83.76 -38.94 20.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.149 -179.802 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.5 p -62.7 -22.13 66.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.53 167.93 24.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.342 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.53 -48.56 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.81 164.71 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.259 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.1 148.02 52.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -132.0 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.0 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.054 -179.267 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 30' ' ' LEU . 23.1 t -134.88 136.62 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.112 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 7.7 p90 -144.13 157.03 44.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.175 178.087 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -97.43 146.38 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.482 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.9 pt -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.361 179.59 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.47 HG21 HD12 ' A' ' 132' ' ' LEU . 75.5 p -72.61 -20.35 61.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.855 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.47 96.4 5.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.87 -16.24 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.612 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.28 -26.45 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.679 -179.331 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -68.3 -44.44 75.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.065 -179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -56.2 -37.78 70.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.443 -179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -72.69 -54.35 9.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.65 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -59.21 -35.13 73.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD21 ' A' ' 91' ' ' LEU . 4.8 p -60.2 -38.08 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.468 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.41 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.891 178.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 10.1 tp10 -65.62 -32.39 73.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.43 179.374 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.03 -24.74 43.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.671 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -49.11 -42.38 39.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.48 -33.14 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.5 -179.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -72.37 -27.35 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.56 -43.25 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.493 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.42 -26.08 66.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.805 -179.553 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -54.64 -50.68 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.716 0.293 . . . . 0.0 111.627 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 83' ' ' PHE . 5.5 m -67.93 -11.94 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.741 -179.594 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 75.3 mmtt -125.98 68.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.806 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.58 -26.73 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.768 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.4 4.57 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 44.4 tt0 -120.91 139.72 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.776 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.31 -4.95 18.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.182 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.495 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 75.3 mmtt -120.7 95.82 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.217 -179.76 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -109.6 109.66 59.79 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.04 124.97 17.51 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.234 1.956 . . . . 0.0 112.072 179.691 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 44.1 tp -138.37 156.02 48.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.05 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.5 tp -163.27 129.89 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.279 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.681 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.2 p -106.0 143.89 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.51 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.477 HG13 HG13 ' A' ' 92' ' ' VAL . 9.8 p -148.57 154.99 9.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.223 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -121.01 106.51 1.14 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.017 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -81.67 -169.73 2.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -179.413 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 59.24 18.62 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.2 t -63.34 -10.84 18.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.48 -14.32 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.089 0.471 . . . . 0.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD3' ' A' ' 135' ' ' ARG . 22.2 mt -114.09 86.84 2.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.57 179.685 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.524 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.0 mt-10 -72.68 -24.45 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.176 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.43 -35.52 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 132' ' ' LEU . 38.8 mtp180 -87.89 15.94 6.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.524 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.0 ttm180 -87.55 109.23 19.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.393 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -90.75 -28.51 18.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.418 -179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.28 110.26 45.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.414 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.54 142.45 90.14 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.193 1.929 . . . . 0.0 111.534 179.243 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 12.6 p -59.26 -38.01 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.52 -43.56 89.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.435 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.92 -45.26 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.369 -179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.61 79.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 154' ' ' TYR . 95.8 mtt180 -60.5 -44.73 95.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.77 -179.665 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -56.17 -39.93 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.583 -179.442 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -48.52 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.565 -179.276 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.681 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.78 -28.6 69.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.714 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.33 -27.38 55.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 179.422 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -81.34 -15.49 55.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.56 24.78 15.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.961 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.87 177.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.127 0.489 . . . . 0.0 111.454 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.78 132.23 54.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.127 179.549 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.633 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.0 t80 -96.47 141.98 29.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.158 0.504 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 152.13 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.851 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.19 138.85 31.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 63.1 p -146.47 160.44 42.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.438 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.2 p -125.19 109.01 12.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.752 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.11 6.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.589 -179.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -97.63 -52.76 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.627 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 30.3 p -86.83 5.05 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.15 37.42 0.05 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.93 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.73 -179.589 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.8 m-20 -112.26 23.86 13.2 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.497 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -68.29 -39.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.707 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 169' ' ' PHE . 6.7 p-10 -73.97 -14.91 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.144 179.551 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 48.1 tptt -56.65 -37.88 71.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.967 -179.304 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 165' ' ' VAL . 21.2 m -75.98 -30.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.868 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' A' ' 166' ' ' ASP . 98.8 m-85 -74.39 -45.62 45.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -72.16 -44.24 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.58 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.2 -53.78 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.699 0.285 . . . . 0.0 110.985 -179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.5 tp -61.75 -33.4 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.3 ttm -54.44 -42.64 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -68.7 -35.03 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -70.52 -26.4 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 172' ' ' LEU . 97.3 mt -72.25 -49.72 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.306 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.9 ptm180 -73.38 -24.68 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.547 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -88.46 -60.05 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -71.59 -54.45 10.4 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -53.73 53.82 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -60.86 -17.23 49.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.609 0.243 . . . . 0.0 111.581 -179.085 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 39.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.732 179.881 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 -176.16 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD23 HE21 ' A' ' 63' ' ' GLN . 1.0 OUTLIER -134.11 97.43 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.617 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.53 120.17 40.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 50.2 mttp -104.27 137.09 42.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -117.97 125.87 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.25 115.4 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mmt -67.52 97.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.9 p -106.6 167.07 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.32 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 151.27 -148.42 19.48 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.911 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.765 ' N ' HG22 ' A' ' 104' ' ' THR . 29.0 t -56.35 -63.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.958 0.408 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.77 37.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.381 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 84.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.07 -34.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.93 35.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' ' H ' ' A' ' 28' ' ' SER . 15.6 ptpt -65.94 -56.51 11.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.204 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.538 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.6 p -54.91 -30.05 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.18 0.514 . . . . 0.0 110.864 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.87 -52.8 61.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.701 -179.416 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 92' ' ' VAL . 3.5 mt -61.96 -25.17 67.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.437 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.591 HG23 HG21 ' A' ' 66' ' ' ILE . 88.7 m -65.8 -47.92 73.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.21 -179.664 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.02 -36.41 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.039 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.1 mm100 -60.08 -39.13 85.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -72.28 -25.02 61.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.559 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.1 tpp -81.43 -49.42 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.158 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -119.93 -1.7 10.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.3 m-20 56.94 38.24 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.895 -179.717 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -148.91 143.57 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.19 106.66 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.59 141.18 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.66 133.4 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.96 -61.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 58.67 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -112.63 144.97 32.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.52 158.01 47.91 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.509 2.14 . . . . 0.0 112.15 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -127.46 122.55 33.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -149.89 -44.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.41 -16.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.74 125.6 29.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' ' 67' ' ' LEU . 65.2 p -126.93 176.79 7.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -102.63 163.12 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' ILE . 37.6 ttpt -151.18 157.3 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.431 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.59 125.93 47.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 111.354 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.52 137.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.649 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.85 144.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -138.08 97.7 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 55.26 30.79 15.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.72 29.45 8.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.747 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.61 113.14 4.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.72 115.19 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 169.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.41 HE21 HD23 ' A' ' 14' ' ' LEU . 21.2 mt-30 -106.53 118.77 37.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.515 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 53' ' ' LYS . 13.6 tt -105.43 132.51 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.1 t70 -118.46 116.68 27.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 31' ' ' THR . 57.2 mt -108.69 137.3 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 50' ' ' SER . 40.1 tp -139.13 105.26 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.5 116.59 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.822 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.1 p -84.61 -26.91 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.449 -179.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.6 -168.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.335 179.743 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.7 mm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.175 0.512 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.496 HH22 HE22 ' A' ' 110' ' ' GLN . 65.0 mtm180 -60.35 -38.24 83.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 179.648 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.17 -32.8 64.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.422 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -52.03 -52.99 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -179.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -62.71 -42.36 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.664 -179.343 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -62.94 -19.18 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.218 -179.694 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -79.62 -48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.134 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 t -68.55 -7.6 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.82 136.33 12.67 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.04 -7.73 38.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.32 155.75 24.19 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.22 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -132.8 138.4 47.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.3 . . . . 0.0 111.065 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -127.18 109.59 12.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 179.699 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.82 103.83 12.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.461 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 126' ' ' VAL . 4.0 t -111.44 137.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.942 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.1 p90 -153.47 146.4 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 178.517 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -83.07 145.3 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' A' ' 129' ' ' LYS . 31.0 pt -76.02 -32.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 38.3 p -74.34 -5.29 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -124.65 89.1 3.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -63.1 -17.2 62.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.57 -26.6 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 104' ' ' THR . 25.3 m -70.99 -51.56 24.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.648 -179.189 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -49.09 -42.99 40.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.51 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -71.07 -42.2 69.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.568 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.37 75.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.765 HG22 ' N ' ' A' ' 22' ' ' SER . 44.9 p -66.42 -34.55 78.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.52 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.68 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.07 -179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 16.7 mm-40 -64.1 -45.91 86.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.89 -24.94 67.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.524 -179.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.01 -52.34 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.0 pt-20 -70.67 -34.85 72.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 -179.747 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.496 HE22 HH22 ' A' ' 79' ' ' ARG . 50.1 mt-30 -58.51 -24.66 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.847 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.81 -37.02 77.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.05 -26.23 65.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.0 -179.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 20.7 mmm180 -50.67 -50.36 54.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.748 0.309 . . . . 0.0 111.617 -179.161 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.5 m -73.07 -18.58 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.829 -179.545 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 74.6 mmtt -115.83 45.01 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.046 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -21.02 66.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.326 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.5 OUTLIER -102.25 -29.95 11.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.2 tp10 -80.56 125.9 30.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.57 -56.43 4.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -69.58 120.6 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.5 mm -118.71 105.99 44.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.377 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.09 121.59 8.21 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.343 2.029 . . . . 0.0 111.785 179.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.0 tp -148.12 161.72 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 44.3 tp -161.01 131.22 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.66 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.0 p -100.91 143.06 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.257 -179.303 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 92' ' ' VAL . 15.0 p -142.4 149.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.59 -179.594 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.75 106.18 1.35 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.863 179.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -79.92 -172.3 3.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.75 0.309 . . . . 0.0 110.659 -179.364 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB3' HG12 ' A' ' 95' ' ' ILE . 10.2 tppt? 60.51 14.8 5.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.343 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -57.41 -18.46 18.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.389 -179.383 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.38 -22.18 52.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 50.9 mt -106.71 82.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.82 -33.02 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -76.24 -10.97 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.8 mtt180 -114.98 12.47 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.211 -179.782 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.9 ttm180 -77.81 110.44 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.459 179.703 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -87.18 -32.34 19.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.93 105.49 24.15 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.471 -179.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.04 135.69 64.37 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.089 1.86 . . . . 0.0 111.405 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -52.34 -45.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.667 -179.281 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.54 -48.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.514 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.27 -40.24 93.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.62 -28.75 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtt180 -76.12 -39.74 54.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.298 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.89 -41.17 97.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.809 -179.026 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.57 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.312 -179.342 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.66 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.14 -33.78 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.869 -179.33 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.22 -32.0 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 10.5 m0 -68.08 -24.63 65.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.71 24.86 6.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.199 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.32 165.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -106.9 139.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.847 178.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.611 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -104.08 139.38 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.335 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -135.33 153.09 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.861 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -89.83 138.18 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.3 p -145.57 154.8 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.122 0.487 . . . . 0.0 112.018 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 160' ' ' LYS . 21.2 t -129.0 111.2 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.35 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.31 7.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.452 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 158' ' ' SER . 29.1 tptp -99.46 -54.03 3.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 t -90.16 3.7 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.091 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.466 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 34.55 43.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.107 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.14 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.556 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 4.4 m-20 -112.18 23.35 13.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.35 179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.6 p -66.13 -42.6 91.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.418 179.449 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.87 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.556 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 20.2 tptm -57.1 -31.82 65.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.117 -179.306 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -84.53 -27.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.21 -46.87 31.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -72.22 -39.47 68.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.639 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.33 -53.68 48.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.345 -179.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 176' ' ' ILE . 52.0 tp -62.14 -32.73 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.6 ttm -55.99 -45.86 78.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 23.9 mmm180 -68.39 -35.84 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.93 -32.03 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.4 mt -71.66 -46.97 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.464 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.481 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 11.9 ptm180 -74.38 -25.94 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.856 -179.21 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 91.2 m -87.7 -59.42 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -70.97 -54.6 10.74 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 86.7 tttt -61.76 -56.84 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -54.2 -18.08 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.133 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 38.1 m . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.681 0.277 . . . . 0.0 111.131 179.842 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 100.71 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -83.98 104.42 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.81 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -103.92 124.71 49.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -92.44 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.469 -179.371 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.1 139.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.59 125.72 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.465 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.25 105.33 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.738 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.1 p -117.94 162.48 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.491 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 160.3 87.28 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.067 -179.768 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 104' ' ' THR . 29.3 t 59.62 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.793 0.33 . . . . 0.0 111.367 179.481 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.7 -49.79 0.09 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.29 64.11 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.16 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 HD21 ' A' ' 128' ' ' ASN . 93.8 t -108.98 -48.85 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.233 -179.664 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.93 37.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.304 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' MET . 26.5 mtmm -53.08 -36.69 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.514 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.3 p -72.49 -29.16 63.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.978 179.647 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.06 -52.34 65.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.164 -179.022 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.637 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -62.71 -25.37 68.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.444 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.7 m -66.38 -57.38 7.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.595 -179.414 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.27 -30.15 68.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.628 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.1 mm100 -72.69 -40.12 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 111.105 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.04 -35.09 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.5 mtp -82.45 -49.46 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.429 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -99.74 -20.16 16.39 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 m-20 61.24 33.91 18.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.184 0.516 . . . . 0.0 110.086 -179.164 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.75 134.86 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.65 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -89.26 108.7 19.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.5 t -136.44 135.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.71 108.21 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.976 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -161.44 141.71 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -111.55 141.59 44.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -140.65 102.98 6.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.41 154.13 31.23 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.422 2.081 . . . . 0.0 112.678 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -82.19 103.35 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.34 33.55 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.5 15.71 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.283 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -106.7 126.23 52.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -99.36 176.09 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.808 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -107.3 162.29 14.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -141.23 130.44 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 111.299 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -165.31 152.06 10.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.955 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HE3' ' OE1' ' A' ' 61' ' ' GLU . 5.5 pttt -133.73 137.39 45.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.378 . . . . 0.0 111.094 -179.705 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.56 160.54 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.242 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.2 p -73.67 144.56 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 173' ' ' MET . 45.2 tp -135.96 99.62 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.16 30.97 13.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.16 -48.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.786 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -86.35 117.06 24.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.1 tt0 -84.34 114.99 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.12 152.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -86.54 164.42 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.05 146.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.901 0.382 . . . . 0.0 111.354 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -128.06 120.21 26.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.28 143.47 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.1 tp -131.51 118.76 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.91 128.25 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.9 p -118.25 150.35 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.458 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.92 -166.78 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.318 179.69 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.194 0.521 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -60.43 -45.39 93.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.998 179.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.61 -30.84 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.39 -38.12 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.487 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -69.51 -32.39 71.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.301 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.02 -18.68 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -83.14 -24.07 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 13.91 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.96 150.82 18.48 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.81 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -98.94 -37.97 9.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.485 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -108.24 159.55 14.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.478 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.8 129.76 26.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 HG23 ' A' ' 168' ' ' VAL . 1.1 tt -120.45 103.47 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.636 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.1 tm? -82.94 129.31 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' N ' HD13 ' A' ' 91' ' ' LEU . 85.5 t -141.62 120.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 111.859 -179.78 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.613 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -121.88 151.25 40.89 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.449 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -89.15 135.16 33.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.33 -179.833 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.473 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 25.7 pt -70.27 -32.14 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.7 p -72.98 -20.84 60.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.533 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.62 97.72 6.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.649 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.77 -16.23 56.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.21 -26.7 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 25' ' ' VAL . 17.8 m -69.99 -53.76 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.043 -179.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.06 -40.1 57.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.545 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.3 p -72.79 -54.01 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.457 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.3 81.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.363 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.636 ' HB ' HD11 ' A' ' 91' ' ' LEU . 17.2 p -56.54 -31.76 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.53 -44.7 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.429 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -63.22 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.035 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -48.98 -47.31 44.32 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.913 0.387 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.8 mt-10 -70.63 -40.57 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -56.15 -33.28 65.05 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.6 -46.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.72 -26.6 65.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -55.75 -50.67 69.78 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.6 m -64.51 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.739 -179.23 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 114' ' ' VAL . 0.9 OUTLIER -132.3 77.91 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 111.273 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.96 -33.48 22.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.627 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.79 -38.69 82.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.19 101.39 0.71 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.35 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.78 -29.56 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -107.49 118.04 35.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.2 107.88 32.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.562 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.485 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 18.0 Cg_endo -58.13 110.52 0.65 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.351 2.034 . . . . 0.0 112.154 -179.733 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.46 153.72 46.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -164.95 123.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.326 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.607 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -103.66 142.21 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.066 0.46 . . . . 0.0 111.725 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 168' ' ' VAL . 16.8 t -144.47 152.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.625 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.05 137.02 11.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.324 179.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.498 HD21 HG12 ' A' ' 25' ' ' VAL . 37.5 p30 -102.65 -167.64 1.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 95' ' ' ILE . 41.6 mmtm 63.74 17.37 10.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.538 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.9 t -57.62 -14.25 5.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.41 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.59 6.6 6.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.372 . . . . 0.0 110.737 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.558 HD13 ' HD3' ' A' ' 135' ' ' ARG . 33.7 mt -130.74 74.5 1.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.81 -38.11 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.532 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.18 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.459 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.558 ' HD3' HD13 ' A' ' 132' ' ' LEU . 41.7 mtp180 -109.39 -29.45 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.963 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.538 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.0 ttm105 -40.76 108.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.214 -178.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 8.1 tp-100 -82.59 -32.76 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.11 107.11 29.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 43.6 Cg_exo -56.45 126.71 23.19 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.957 1.771 . . . . 0.0 111.315 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.01 -43.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.213 -179.653 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.0 -49.65 77.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.88 -29.3 69.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.27 -29.26 53.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.8 mtt180 -76.86 -38.46 53.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -62.63 -36.88 84.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.519 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -77.4 -47.95 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.55 -38.95 60.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.558 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.31 -32.09 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.649 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -51.99 -48.07 64.59 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 110.981 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.519 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.0 m0 -65.55 -18.97 65.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.52 13.41 32.77 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.107 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.86 -176.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.144 0.497 . . . . 0.0 111.463 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -125.89 130.27 50.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.69 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.607 ' HD1' HG22 ' A' ' 125' ' ' VAL . 29.3 t80 -94.92 131.28 41.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.0 0.429 . . . . 0.0 111.207 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 126' ' ' VAL . 8.0 p -126.26 154.02 35.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.583 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -90.06 147.17 23.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.657 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 164' ' ' ASN . 37.6 p -150.95 168.03 25.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.95 0.405 . . . . 0.0 111.485 -179.524 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -136.03 108.69 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.684 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.39 -4.38 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.01 -42.37 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -95.01 -0.37 53.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.26 41.86 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.976 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.93 -55.81 5.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.913 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.522 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.3 m-20 -111.79 9.33 20.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.172 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.8 p -58.18 -40.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.977 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.89 -32.95 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.281 179.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -56.65 -31.45 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.969 -179.094 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.3 m -73.63 -30.57 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.524 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.52 -40.13 61.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.48 -35.93 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.429 ' OD1' HD11 ' A' ' 124' ' ' LEU . 15.8 t70 -61.97 -50.91 70.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 -179.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 124' ' ' LEU . 67.3 tp -65.57 -32.22 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 46.6 ttm -54.68 -45.76 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.471 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.61 -36.24 83.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.12 -49.75 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 53.7 mt -58.63 -31.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.519 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 -55.27 5.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.315 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.2 m -87.56 -58.92 2.4 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.401 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -60.65 -54.32 46.78 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 27.9 tptp -62.07 -58.17 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -56.63 -15.89 5.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.997 179.949 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.37 140.77 30.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.5 tp -114.47 112.47 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.07 123.31 47.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.14 144.23 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 2.9 t -121.36 118.39 55.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.19 105.75 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.744 179.337 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.597 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -62.93 98.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.5 p -103.58 156.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.678 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.87 -161.81 26.74 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.359 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 59.5 p -64.53 -45.35 87.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.401 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.56 31.81 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.23 69.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.295 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -127.07 -31.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.113 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.15 36.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.409 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.2 ptpt -54.7 -34.42 62.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.4 p -66.95 -29.74 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.199 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.22 -52.6 63.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -60.05 -25.16 65.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.2 m -69.08 -57.36 5.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.65 -29.59 66.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.956 -179.198 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.3 mm100 -70.31 -43.12 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -72.98 -28.7 62.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.664 0.269 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.423 ' SD ' HD12 ' A' ' 66' ' ' ILE . 94.0 mmm -82.1 -49.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.398 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -117.87 -15.47 10.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.237 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.8 60.12 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 40' ' ' VAL . 8.7 tp10 -160.83 127.26 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -89.08 106.04 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 38' ' ' GLU . 95.8 t -143.17 140.54 26.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.55 108.79 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -164.67 156.47 15.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.102 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -155.86 152.66 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.43 119.0 8.4 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.8 149.73 40.01 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.405 2.07 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.5 m -90.34 122.88 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -142.13 -60.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.05 7.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.28 130.29 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -137.25 149.71 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.73 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -96.46 159.63 14.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -151.04 134.25 16.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 111.093 179.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -163.4 160.49 23.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 57.6 mtpt -115.4 130.07 56.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.33 145.66 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -82.73 135.32 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.9 tp -136.32 111.0 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.729 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' HB2' HH22 ' A' ' 177' ' ' ARG . 21.3 t70 57.37 31.07 19.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.161 0.505 . . . . 0.0 110.594 -179.818 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 -30.53 8.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.62 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -92.83 114.02 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.1 tt0 -82.48 117.71 22.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 179.767 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.0 149.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 21.9 mt-30 -80.74 158.44 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.233 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 17' ' ' VAL . 11.9 tt -144.87 126.08 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.118 0.485 . . . . 0.0 111.573 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.63 113.19 25.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.166 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 ' SD ' ' A' ' 35' ' ' MET . 75.4 mt -101.38 126.85 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 68' ' ' ASP . 1.6 tm? -96.96 133.9 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 67' ' ' LEU . 27.0 t70 -52.44 -71.58 0.07 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.6 -179.331 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 67' ' ' LEU . 29.0 m 66.97 144.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.762 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.23 177.82 7.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.327 179.895 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.537 ' HA ' HD22 ' A' ' 81' ' ' ASN . 50.6 mm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -57.08 -49.09 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 179.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.23 -39.59 72.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.537 HD22 ' HA ' ' A' ' 78' ' ' ILE . 32.7 m-80 -53.58 -34.73 59.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.644 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -76.87 -39.66 50.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -69.55 -17.05 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.402 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -84.28 -22.04 30.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -85.5 13.45 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.514 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 167.34 25.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.797 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.48 -45.9 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.753 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.98 152.3 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.422 179.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -128.37 141.03 51.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 124' ' ' LEU . 20.1 tp -133.03 108.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.325 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.1 tp -82.44 137.7 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.898 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -141.04 126.02 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.397 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.448 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.1 p90 -137.55 150.71 47.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.168 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 p -89.07 133.28 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.21 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 129' ' ' LYS . 30.7 pt -71.76 -24.87 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.422 179.494 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.426 HG21 HD12 ' A' ' 132' ' ' LEU . 73.1 p -72.05 -24.31 61.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.667 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -117.78 104.39 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -62.27 -15.88 50.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.1 -26.67 62.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -179.165 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 80.7 p -70.62 -54.25 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.506 -179.251 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -57.53 -34.21 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 111.346 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.0 p -72.79 -54.0 10.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.343 -179.188 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -61.29 -41.13 96.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -179.616 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.657 ' HB ' HD21 ' A' ' 91' ' ' LEU . 16.5 p -54.56 -31.03 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.673 179.2 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.54 -36.0 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.446 -179.457 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.7 -40.85 92.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.415 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 21.8 m-85 -53.33 -23.04 8.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.0 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -46.56 -46.8 19.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.16 -43.35 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.597 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 1.7 mp0 -56.02 -36.0 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.322 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.59 -43.05 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 111.682 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.81 -26.78 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 23.6 mmt180 -53.88 -49.55 68.29 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.614 -179.502 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -72.76 -29.81 31.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.175 -179.177 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.31 63.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 111.403 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.28 -17.85 35.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -97.1 -4.43 39.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.12 124.88 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.27 -47.36 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.1 mptm? -88.12 110.79 20.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.4 mm -108.53 104.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.085 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.02 133.5 33.59 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.245 1.963 . . . . 0.0 112.121 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 124' ' ' LEU . 57.3 tp -153.22 159.2 42.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 90' ' ' LEU . 42.1 tp -163.01 118.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.997 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.609 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -87.51 142.35 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.994 0.425 . . . . 0.0 111.331 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -137.21 146.34 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.75 125.24 6.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.252 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -96.03 -174.5 3.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.855 0.36 . . . . 0.0 110.583 -179.638 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.521 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.8 mmtp 57.62 18.18 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 p -56.93 -32.42 65.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 111.033 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -52.95 -20.46 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.855 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.452 HD13 ' HD3' ' A' ' 135' ' ' ARG . 73.2 mt -103.69 72.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.538 179.6 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.18 -21.49 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.258 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.435 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -81.75 -21.33 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.452 ' HD3' HD13 ' A' ' 132' ' ' LEU . 80.2 mtp180 -106.17 12.45 30.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.0 ttm180 -76.18 112.46 12.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -88.06 -29.41 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.4 t -103.73 103.01 34.21 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.078 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.5 139.14 75.23 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.203 1.935 . . . . 0.0 111.771 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -54.62 -45.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.251 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.4 mt-10 -56.83 -49.92 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.08 -31.07 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.16 -29.09 60.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.215 -179.744 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 141' ' ' GLU . 77.9 mtm180 -72.14 -42.75 65.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -61.08 -43.71 98.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.43 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -73.74 -48.39 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.832 -179.56 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.08 -35.88 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.3 -31.74 71.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.42 -49.0 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.472 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 26.3 m0 -63.34 -22.57 66.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.701 179.448 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.94 18.75 14.4 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.845 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.0 158.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.433 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.31 135.5 41.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.609 ' HD1' HG22 ' A' ' 125' ' ' VAL . 27.1 t80 -98.41 144.73 27.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.08 0.467 . . . . 0.0 111.694 -179.134 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.502 HG21 ' HE2' ' A' ' 167' ' ' LYS . 61.1 t -138.31 152.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.184 -179.861 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.44 144.0 26.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.33 179.589 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.4 p -150.5 156.86 42.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.052 0.453 . . . . 0.0 111.893 -178.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -137.02 111.94 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.463 179.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -62.89 -7.83 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.46 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -83.56 -53.43 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.0 t -92.5 -1.07 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.36 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? 33.31 46.32 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.06 -55.95 4.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.138 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 13.28 22.36 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.1 p -61.81 -47.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.3 p30 -73.87 -18.63 60.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.25 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.502 ' HE2' HG21 ' A' ' 155' ' ' VAL . 1.9 tmtp? -64.28 -33.48 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 165' ' ' VAL . 15.1 m -82.26 -26.82 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.28 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -70.87 -44.09 67.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 110.459 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -72.04 -44.59 63.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 179.537 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.53 -50.03 68.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 176' ' ' ILE . 66.2 tp -59.16 -42.2 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.422 ' HE2' HD12 ' A' ' 64' ' ' ILE . 46.5 ttm -54.76 -40.33 69.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 57' ' ' LEU . 77.6 mtp180 -68.89 -35.72 77.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 -179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.73 -27.14 62.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.0 mt -72.76 -54.51 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.456 -179.767 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.445 ' HA ' ' HG2' ' A' ' 181' ' ' MET . 18.2 ptt180 -63.55 -26.16 68.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.6 m -87.32 -59.68 2.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.377 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -71.07 -54.14 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.342 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -60.08 4.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 177' ' ' ARG . 23.2 mmt -55.67 -21.95 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.028 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.9 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.69 162.21 25.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -135.54 108.77 7.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.707 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -107.21 153.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.1 mttt -128.64 112.35 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.04 127.2 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' HA3' ' A' ' 86' ' ' GLY . 32.1 mm -92.27 127.01 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 179.777 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.582 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.9 tpt -81.12 76.62 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -85.29 155.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.51 -167.58 35.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 25' ' ' VAL . 14.2 t -60.9 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.043 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.72 -29.67 0.24 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.277 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.16 41.32 1.31 Allowed Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.941 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 22' ' ' SER . 61.1 t -88.61 -74.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 111.42 -179.618 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 162.37 32.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.769 -179.613 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 41.7 pttt -49.83 -38.21 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.437 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -68.74 -29.74 68.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.08 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.3 -52.62 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.221 -179.078 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -58.97 -25.14 63.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 66' ' ' ILE . 57.7 m -70.45 -46.2 64.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.438 -179.648 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.64 -38.51 77.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.39 -179.533 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.527 HE21 ' HB3' ' A' ' 162' ' ' ARG . 12.9 mm100 -60.6 -39.48 88.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.849 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.7 -25.47 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.121 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.9 tpp -81.98 -49.84 9.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.63 -14.05 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.4 m-20 64.73 39.92 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -139.9 127.64 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.532 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -86.68 110.79 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.69 143.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.12 -45.32 89.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.59 130.57 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -134.43 -178.3 4.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.099 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -130.39 118.9 18.28 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.95 135.43 58.36 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.3 2.0 . . . . 0.0 112.345 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 68' ' ' ASP . 26.8 m -91.56 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.05 92.03 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.34 21.31 8.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.219 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -114.87 131.64 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.1 p -118.24 171.82 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 80.8 m-85 -119.44 122.38 41.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.46 131.36 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -149.93 135.42 18.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -79.97 117.07 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.05 142.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.992 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.4 p -75.01 141.18 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -142.66 108.11 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.57 30.9 19.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 -33.45 6.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.661 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -99.08 119.68 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -78.7 118.31 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.195 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.78 144.7 31.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.3 132.39 35.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.023 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 tt -105.7 137.18 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -122.54 116.38 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.578 HG21 HG23 ' A' ' 31' ' ' THR . 70.7 mt -108.71 113.78 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.35 99.37 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' HB2' ' OG1' ' A' ' 46' ' ' THR . 4.0 m-20 -66.04 176.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.45 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.7 p -146.66 -178.59 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 90.9 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.049 -179.754 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.846 0.355 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -62.88 -34.54 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.142 -179.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.34 -31.37 72.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.323 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.53 -34.66 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -70.36 -47.8 59.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 -179.536 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 114' ' ' VAL . 64.4 m-85 -63.85 -30.68 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.721 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.18 -6.11 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.6 t -95.61 3.69 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -136.53 169.07 23.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.568 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -111.94 -27.66 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.15 166.9 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.421 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -138.13 134.14 34.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 168' ' ' VAL . 14.4 tp -124.44 100.24 6.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.556 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -84.16 104.35 14.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 126' ' ' VAL . 11.0 p -111.49 139.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.857 179.646 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -148.27 164.76 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.868 178.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG13 ' A' ' 25' ' ' VAL . 50.0 m -100.14 149.82 23.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 111.477 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.517 HG12 ' HB3' ' A' ' 129' ' ' LYS . 5.8 pt -78.81 -42.42 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.783 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.2 p -60.45 -29.01 68.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.441 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.57 99.64 9.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.36 -16.83 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.046 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.57 -26.39 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.198 0.523 . . . . 0.0 110.227 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 24.9 m -65.47 -53.53 41.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.271 -179.505 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.17 -34.21 74.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.799 -179.37 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 p -71.75 -53.83 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.23 93.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.712 -179.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' ' 91' ' ' LEU . 10.1 p -57.81 -31.22 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.401 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.14 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -66.76 -44.43 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.76 -25.27 64.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.078 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -49.84 -45.86 50.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.921 0.391 . . . . 0.0 110.312 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 46.5 mt-10 -70.67 -39.43 73.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.917 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.14 -34.23 65.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.029 -179.611 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.7 mt -58.68 -47.33 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.08 -29.9 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.648 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 30.3 mtp180 -60.04 -51.3 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.782 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.58 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -65.94 -13.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.9 mmtt -125.64 64.6 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.0 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.381 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -102.03 22.63 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 110.395 179.668 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 12.8 pt-20 -56.45 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.219 -179.392 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.67 -44.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.624 179.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -140.31 90.38 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.987 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.5 mm -89.39 111.09 43.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.677 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.489 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -80.5 135.18 10.36 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.437 2.091 . . . . 0.0 111.911 179.39 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 53.3 tp -144.8 160.66 40.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 33.0 tp -162.16 126.58 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.233 179.286 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.2 p -105.91 143.64 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.821 -179.024 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.634 HG13 HG23 ' A' ' 92' ' ' VAL . 7.7 p -145.97 140.83 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.994 179.421 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.83 108.92 2.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.174 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.3 p-10 -83.2 -161.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.46 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.9 tppt? 65.73 10.7 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -58.99 -10.79 2.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.248 -179.88 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.59 -2.12 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 110.531 179.415 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 135' ' ' ARG . 63.0 mt -128.72 77.31 1.77 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.5 -35.45 73.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -71.71 -9.19 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.501 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.6 mtt180 -116.94 -6.36 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.375 -179.809 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.9 ttm180 -56.84 107.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -86.52 -32.55 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.207 -179.336 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.1 t -92.3 110.48 44.84 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 125.46 16.16 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.946 1.764 . . . . 0.0 111.019 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -49.99 -44.33 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.331 -179.466 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.48 -43.71 72.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.286 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.17 -53.06 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.9 64.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.326 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.1 mtt180 -68.22 -51.07 49.57 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -56.84 -37.71 71.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.689 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -70.46 -48.47 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 179.73 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.418 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.33 -30.49 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.572 -179.284 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.15 -32.3 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.83 -36.02 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -77.51 -18.73 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.46 15.25 27.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.972 -179.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.1 -175.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.454 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.13 143.48 49.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.687 178.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.601 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.4 t80 -109.7 124.84 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.941 0.4 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.11 154.4 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -89.05 146.37 24.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 32.8 p -149.33 169.22 21.31 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.652 -179.39 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -138.37 110.98 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.62 179.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -67.44 -6.58 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.284 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -90.56 -51.18 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 60.4 p -86.51 -6.8 58.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.527 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.5 ppt_? 37.0 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.037 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.81 -51.37 10.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.802 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.49 8.41 31.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 30' ' ' LEU . 11.7 p -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.074 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.98 -14.79 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.016 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.5 -36.51 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.637 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 p -76.26 -28.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.727 -178.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -71.51 -43.94 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.98 -42.65 66.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.66 -51.94 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 172' ' ' LEU . 0.9 OUTLIER -58.21 -49.09 78.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.532 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.458 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 13.6 ttp -53.9 -41.27 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.546 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.69 -37.51 76.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.005 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.42 -32.63 74.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.429 HD11 HD11 ' A' ' 172' ' ' LEU . 86.0 mt -72.84 -50.14 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.38 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 173' ' ' MET . 67.7 mtp180 -58.78 -31.01 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.2 m -87.27 -58.71 2.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.201 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -69.67 -54.08 15.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.44 -56.46 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.799 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.3 mmt -61.6 -13.04 18.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.766 -179.063 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.65 179.85 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.42 155.58 40.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.29 116.76 23.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -112.85 149.7 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.4 mttm -128.7 127.0 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.02 130.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -66.91 94.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.751 179.802 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.6 p -102.72 164.04 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.645 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 170.86 -163.29 36.36 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.768 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.9 t -57.28 -49.56 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.029 0.442 . . . . 0.0 110.766 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.79 -17.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.279 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.85 90.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.561 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.1 m -134.64 -0.36 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.307 . . . . 0.0 111.419 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.42 40.02 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.806 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 35.3 mtmm -64.43 -54.43 32.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.89 0.376 . . . . 0.0 110.658 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -57.13 -29.93 64.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.766 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.63 -52.29 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.474 -179.69 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD11 HG11 ' A' ' 92' ' ' VAL . 5.8 mt -58.05 -25.54 61.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.084 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.6 m -73.81 -39.58 63.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.801 179.698 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.87 -29.66 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.423 ' HB2' HG21 ' A' ' 165' ' ' VAL . 11.8 mm100 -76.72 -33.48 58.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.0 110.565 179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -73.45 -48.14 35.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.382 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtp -82.13 -49.91 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -96.96 -28.67 14.08 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 26.5 t70 58.31 60.18 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 -179.191 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -166.8 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.704 -179.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -85.52 108.13 17.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.008 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.5 t -135.43 147.03 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.34 -0.62 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.613 ' H ' HG12 ' A' ' 40' ' ' VAL . 16.9 t70 -71.99 97.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -90.86 150.11 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.978 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 44.1 mt-10 -131.16 102.13 15.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.46 128.58 21.64 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.329 2.019 . . . . 0.0 112.09 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -95.78 136.23 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -117.98 -49.41 2.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.695 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.13 -8.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.21 129.4 34.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB3' HD23 ' A' ' 67' ' ' LEU . 81.3 p -107.68 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -112.49 161.12 17.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -150.76 132.48 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -144.93 149.68 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.464 179.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 62.3 mttp -109.13 119.63 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.962 0.411 . . . . 0.0 111.21 -179.723 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.07 149.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.932 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.7 p -81.31 145.15 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -138.5 103.29 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 56.02 31.24 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.98 -35.16 5.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.399 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -92.33 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.702 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.7 tt0 -85.77 122.16 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.28 152.82 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 48.6 mt-30 -81.18 144.92 31.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -121.65 123.37 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.566 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 21.8 t70 -110.02 114.39 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.6 mt -105.54 134.54 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.592 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 50' ' ' SER . 2.3 tm? -132.17 112.74 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.079 179.878 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.68 146.28 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.501 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -128.08 103.79 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 176.42 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 -179.996 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.438 HG22 ' HE2' ' A' ' 82' ' ' TYR . 63.1 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.639 0.257 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.463 ' H ' ' HG2' ' A' ' 79' ' ' ARG . 8.9 ptp180 -61.63 -37.82 85.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -57.05 -31.77 65.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.459 179.673 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -70.62 -34.85 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HE2' HG22 ' A' ' 78' ' ' ILE . 60.8 m-85 -66.13 -43.14 87.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.6 m-85 -63.95 -18.01 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.09 -33.53 26.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -87.5 11.28 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.5 148.56 17.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.647 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 180' ' ' LYS . 13.3 mm-40 -107.39 -1.6 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.45 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -138.52 159.16 25.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.354 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -137.8 134.82 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 110.971 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -127.0 105.58 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.646 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.575 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.3 tp -82.76 123.36 29.24 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 -179.796 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 30' ' ' LEU . 40.6 t -128.82 135.07 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.793 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.676 ' HB3' HG21 ' A' ' 104' ' ' THR . 11.1 p90 -145.04 147.16 32.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.202 178.507 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.42 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 37.4 t -88.73 147.42 24.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 111.169 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.585 HG12 ' HB3' ' A' ' 129' ' ' LYS . 27.4 pt -77.78 -34.17 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.405 HG21 HD12 ' A' ' 132' ' ' LEU . 28.6 p -71.97 -5.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.646 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -128.34 97.14 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.567 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -62.87 -17.04 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.41 -26.91 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 37.9 m -67.21 -54.19 23.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.694 -179.388 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.05 -37.25 71.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.17 -54.0 10.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.961 -179.229 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.32 91.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.242 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.676 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -54.24 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 110.591 179.379 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.27 65.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.216 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -69.43 -47.07 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.701 179.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.8 -25.66 65.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.005 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -54.24 -44.3 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.49 -33.36 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.589 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 64.7 mt-30 -64.68 -29.8 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.63 -45.05 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.92 -26.83 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.913 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.589 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 27.5 mmt180 -53.05 -50.77 63.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.877 0.37 . . . . 0.0 111.668 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 14.8 m -69.77 -39.42 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.734 -179.522 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -96.08 35.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.821 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.94 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.98 -36.56 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.25 173.9 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.021 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -124.99 -50.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -80.02 97.2 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.46 179.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.37 120.89 49.21 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.534 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.9 Cg_endo -74.6 124.28 8.71 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.339 2.026 . . . . 0.0 112.022 179.692 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.9 tp -147.24 156.87 43.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.639 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.8 tp -157.72 125.88 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.288 179.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.583 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.9 p -99.0 143.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 92' ' ' VAL . 9.8 p -147.32 146.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 111.487 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -118.17 105.89 1.28 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.809 179.573 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 157' ' ' THR . 22.7 p-10 -80.33 -163.94 0.63 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.585 ' HB3' HG12 ' A' ' 95' ' ' ILE . 32.3 tptt 63.37 12.97 6.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.0 m -55.77 -14.75 2.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.355 -179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.62 -3.55 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.333 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.523 HD13 ' HD2' ' A' ' 135' ' ' ARG . 74.7 mt -126.53 79.09 1.83 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.718 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -71.24 -23.21 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.89 -9.4 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.027 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.523 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -116.54 11.05 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.179 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.449 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.6 ttm180 -74.83 108.42 7.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.23 -34.41 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.475 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.1 t -87.07 111.86 43.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.33 156.62 34.59 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.173 1.916 . . . . 0.0 111.891 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 94.0 t -68.09 -66.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.468 -179.783 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -53.67 -27.79 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.721 -179.135 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.04 -44.38 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.46 67.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.4 mtt180 -77.69 -40.82 40.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -179.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -50.48 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.697 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -48.89 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.337 . . . . 0.0 111.065 -179.436 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.4 -28.63 69.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.402 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.94 -32.39 69.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.019 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.03 -36.85 65.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -72.91 -22.53 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.69 31.45 4.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.466 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.38 173.96 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.57 132.79 55.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.762 179.099 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.583 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.4 t80 -95.63 138.86 32.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.176 0.512 . . . . 0.0 111.671 -179.104 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.12 154.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.041 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.86 141.58 28.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 67.8 p -150.33 173.54 13.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -147.82 111.62 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.69 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.71 -6.63 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 49.7 p -83.67 -9.46 58.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.421 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 37.44 35.12 0.05 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.862 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.55 -55.73 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.737 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.07 18.67 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.6 p -64.34 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.579 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.1 -14.54 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.558 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -62.64 -37.55 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 28.0 m -71.9 -27.1 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.418 -178.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.09 -46.75 32.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -71.82 -47.52 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.365 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.43 -54.04 46.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.28 -35.63 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.754 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.7 ttm -57.6 -44.06 85.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.571 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -69.56 -34.65 74.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.027 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 15.6 mm-40 -60.63 -35.76 76.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.2 mt -66.24 -37.96 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -76.36 -43.47 40.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.969 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 58.6 m -87.68 -58.75 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.077 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 80.1 tttt -69.67 -54.42 13.97 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -177.145 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.9 tttt -61.97 -35.46 78.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.168 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -81.97 -39.62 23.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -178.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.495 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.451 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -86.07 141.13 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 tm? -108.63 103.41 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -104.45 146.1 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.583 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.16 128.9 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.261 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.68 137.2 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.775 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.4 mm -106.33 132.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.295 -179.838 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.418 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -86.04 90.33 8.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.332 179.728 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.9 p -100.99 154.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.353 -179.706 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.64 -161.9 26.79 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.364 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.548 ' HB3' HG23 ' A' ' 25' ' ' VAL . 13.0 t -59.15 -61.99 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.672 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.29 -36.78 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.032 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.5 46.57 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.143 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 22' ' ' SER . 70.1 t -90.94 -66.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 0.0 111.268 -179.736 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.81 37.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.813 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -48.47 -48.03 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.994 0.426 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 31' ' ' THR . 60.5 p -66.0 -29.81 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 179.874 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.14 -53.4 54.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.367 -178.7 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -61.21 -24.84 66.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.372 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 28' ' ' SER . 58.8 m -71.9 -44.39 63.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.819 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.38 -42.73 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.569 -179.25 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 10.2 mm100 -55.96 -39.47 71.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 -179.683 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.75 -25.47 61.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.721 0.296 . . . . 0.0 111.483 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.2 tpp -81.94 -49.6 10.1 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.3 -3.1 10.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.6 m-20 58.83 29.51 18.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.39 140.7 35.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -91.39 107.3 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 42' ' ' ASP . 27.6 t -114.33 142.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.38 -35.06 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG12 ' A' ' 40' ' ' VAL . 28.5 m-20 -61.16 151.41 31.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -156.7 176.28 12.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.85 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 40.8 tt0 -153.3 132.23 6.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 20.1 Cg_exo -65.58 153.67 77.17 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.32 2.013 . . . . 0.0 112.02 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -124.48 136.74 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -128.46 -27.5 2.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.418 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.4 -9.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.265 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 48' ' ' ALA . 4.7 p-10 -79.45 137.83 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.4 p -128.97 170.3 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -109.1 150.89 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -140.1 134.5 31.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.965 0.412 . . . . 0.0 111.046 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.42 162.31 41.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.52 129.4 55.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 111.628 -179.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.56 144.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.635 179.636 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -91.7 143.48 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 53.1 tp -146.32 113.85 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 57.37 31.04 19.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.113 -179.803 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.26 36.27 18.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.729 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.14 114.78 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.841 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.42 124.8 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 13' ' ' ALA . 27.8 m -134.73 149.64 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.22 125.29 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.55 135.72 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.725 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.11 115.34 25.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.034 -179.681 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 31' ' ' THR . 68.3 mt -99.67 136.72 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -124.99 100.36 6.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.65 124.95 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 p -95.69 169.21 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.29 -163.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.779 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.283 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.353 179.785 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.921 0.391 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -49.96 -27.94 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.79 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.26 -32.31 64.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.521 -179.489 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.89 -45.95 89.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.536 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -63.34 -52.42 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.863 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -62.55 -32.58 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 111.404 -179.466 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -79.61 -1.41 37.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.4 -179.655 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.6 t -102.86 9.06 39.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.036 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.521 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.6 173.82 24.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.599 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.42 -29.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.702 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.478 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -105.31 155.77 16.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.54 133.25 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.707 0.289 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.809 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -126.2 101.98 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.023 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -83.45 126.36 32.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.0 t -130.12 143.77 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.529 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -153.07 156.96 39.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.397 178.549 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.405 ' OG ' HG13 ' A' ' 25' ' ' VAL . 69.4 m -96.76 149.62 21.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.057 0.456 . . . . 0.0 111.302 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' A' ' 129' ' ' LYS . 15.6 pt -78.53 -36.01 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 p -71.85 -4.4 27.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.63 97.51 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.83 -18.05 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.58 -26.53 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 30.0 m -67.39 -54.25 22.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.467 -179.322 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.82 -34.82 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.1 p -71.82 -53.32 13.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.713 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.2 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.5 p -66.46 -30.51 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.045 0.45 . . . . 0.0 110.664 179.295 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 108' ' ' ARG . . . -55.26 -54.55 42.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.172 -179.156 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.65 -43.6 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.647 0.26 . . . . 0.0 111.106 -179.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.3 -32.5 62.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.017 179.646 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 105' ' ' ALA . 3.2 tmt_? -57.87 -45.89 85.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.338 179.664 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.44 -33.41 71.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.471 ' O ' HG22 ' A' ' 114' ' ' VAL . 88.8 mt-30 -62.01 -28.2 69.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 114' ' ' VAL . 96.3 mt -64.12 -44.95 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 111.259 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.0 mt -67.07 -25.3 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.542 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.555 ' HG3' ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -65.05 -43.23 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.36 0.6 . . . . 0.0 110.608 -179.179 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.555 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -84.36 -13.55 11.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.963 -179.233 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -127.04 35.1 4.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.89 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.99 -26.62 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -99.31 131.0 45.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.3 -60.69 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.514 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -75.92 98.59 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.3 mm -102.02 104.59 37.09 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.738 179.823 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.8 Cg_endo -62.64 116.59 3.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.318 2.012 . . . . 0.0 112.234 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.09 152.0 47.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.527 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.485 HD23 HG23 ' A' ' 168' ' ' VAL . 12.5 tp -153.73 119.99 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.675 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.6 p -97.24 140.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.502 -179.191 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.528 HG21 ' HB ' ' A' ' 168' ' ' VAL . 37.4 t -146.5 146.54 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.042 179.857 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.19 115.48 3.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.116 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.98 -166.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.613 ' HB3' HG12 ' A' ' 95' ' ' ILE . 1.1 tppp? 68.09 11.39 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.5 t -58.73 -13.36 5.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.33 -13.11 6.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.017 0.437 . . . . 0.0 110.516 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 135' ' ' ARG . 22.9 mt -120.66 86.62 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.616 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.461 ' HG2' HH22 ' A' ' 136' ' ' ARG . 36.1 mt-10 -72.78 -29.04 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.206 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.32 -23.23 37.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.365 -179.57 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.5 mtt180 -101.27 12.11 38.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.269 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.511 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.8 ttm105 -76.41 108.04 9.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 0.0 110.322 179.507 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -83.7 -31.86 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.612 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -97.89 108.33 45.57 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.497 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.78 133.81 53.37 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.226 1.951 . . . . 0.0 111.409 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.7 p -52.0 -46.28 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.57 -48.71 74.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.129 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.51 -31.47 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.85 64.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.3 mtt180 -77.0 -39.23 51.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.185 -179.779 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.5 t -63.83 -41.1 97.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -46.76 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.675 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.29 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.92 -179.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.49 -32.35 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -52.41 -38.69 59.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -67.43 -26.77 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.19 28.02 4.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.66 175.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.663 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.49 128.37 55.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.707 179.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG22 ' A' ' 125' ' ' VAL . 38.0 t80 -95.68 142.85 27.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.211 0.529 . . . . 0.0 111.798 -179.188 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.15 150.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.78 144.21 26.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.6 p -150.38 173.26 14.21 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.535 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.4 p -136.71 110.79 8.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.31 6.58 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.521 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -99.75 -47.33 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.81 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.9 p -92.46 -0.7 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 35.25 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.763 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.05 -55.2 5.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.649 -179.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.7 p30 -111.11 23.54 13.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.933 -179.452 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 168' ' ' VAL . 3.9 p -68.68 -37.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.99 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.16 -14.97 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 46.5 tptt -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.747 -179.393 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.809 HG21 HD21 ' A' ' 90' ' ' LEU . 14.4 p -81.61 -29.23 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.102 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -73.78 -46.76 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -68.89 -43.48 75.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.216 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.8 -52.69 64.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.49 -32.63 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.3 ttm -59.05 -42.77 91.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.73 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.47 -39.94 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.19 -47.15 87.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.669 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.502 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 77.0 mt -58.38 -32.57 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.434 HH11 HD23 ' A' ' 57' ' ' LEU . 82.9 mtp180 -73.7 -53.33 10.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.606 -179.614 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -88.05 -58.81 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -178.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -61.84 -54.55 40.63 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.651 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 13.6 tmtt? -60.45 -44.72 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.818 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.2 mmt -75.64 -12.91 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.647 0.261 . . . . 0.0 111.564 -179.317 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 179.82 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 162.09 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.755 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -128.46 114.99 17.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.231 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -116.0 142.74 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.367 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 62.9 mttp -119.66 103.18 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.493 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -95.47 124.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.669 179.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mm -108.11 126.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.578 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.2 mmm -78.05 90.7 4.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.398 179.397 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -95.44 156.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -171.22 -160.22 19.25 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 -179.819 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 104' ' ' THR . 77.4 p -62.04 -48.57 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.543 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.79 31.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.409 -179.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.67 37.39 0.02 OUTLIER Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.726 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 93' ' ' PHE . 7.0 t -94.67 -57.97 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.639 0.257 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.98 41.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -49.93 -35.72 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.248 0.547 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.2 p -82.3 -28.44 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.17 -52.88 63.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.507 -178.431 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -64.88 -24.82 67.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.369 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 28' ' ' SER . 95.6 m -69.27 -44.17 72.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.552 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.96 -33.14 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.361 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.5 mm100 -73.09 -29.53 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.4 -179.706 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.88 -48.08 40.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.9 ttm -82.21 -49.7 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.507 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.19 -22.23 27.08 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.4 m-20 56.95 27.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.493 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.3 150.4 45.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.26 -179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 78.7 t80 -99.87 105.59 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.34 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.12 143.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.551 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.34 104.0 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.779 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -148.37 146.72 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -132.1 102.41 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -109.84 108.73 59.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.38 147.3 57.53 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.369 2.046 . . . . 0.0 112.326 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -74.34 97.18 2.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.693 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -90.74 31.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.754 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.18 13.65 8.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.267 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.1 128.59 42.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -108.89 156.54 19.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 -179.724 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -97.1 153.42 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -150.14 134.03 16.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -153.96 137.85 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.768 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -79.11 121.25 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -128.84 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.62 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.0 p -83.92 143.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HG2' ' A' ' 174' ' ' ARG . 64.3 tp -144.3 107.81 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 56.48 31.06 18.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.53 -29.68 11.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.532 ' HB3' HH12 ' A' ' 177' ' ' ARG . 10.0 tp10 -93.7 113.65 25.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.6 tt0 -83.57 116.94 22.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.4 147.73 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.45 140.39 32.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.61 137.21 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.018 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 17.0 t70 -117.54 114.22 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.23 133.97 57.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.317 -179.584 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -144.76 114.38 7.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.635 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.2 157.98 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.8 p -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.02 -174.75 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.394 179.921 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.513 ' HA ' HD22 ' A' ' 81' ' ' ASN . 57.2 mt . . . . . 0 N--CA 1.461 0.117 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -58.04 -37.09 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.513 HD22 ' HA ' ' A' ' 78' ' ' ILE . 26.5 m-80 -57.62 -34.57 69.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.463 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -69.32 -48.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.43 -20.59 46.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.311 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -79.93 -32.98 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.6 t -82.55 -3.22 55.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.26 153.79 16.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.582 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.47 -54.23 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.679 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.15 160.93 25.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.498 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -136.28 140.72 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -130.77 104.03 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.0 tp -82.46 129.23 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.795 -179.748 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.36 133.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.727 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.593 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.4 p90 -138.22 160.3 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.478 178.786 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.487 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.3 m -98.73 129.2 45.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 111.175 -179.621 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.469 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.9 pt -62.73 -33.17 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.525 HG21 HD12 ' A' ' 132' ' ' LEU . 72.9 p -70.28 -21.04 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.295 179.351 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -114.37 92.2 3.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.549 179.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.19 -15.84 49.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.01 -26.7 61.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.43 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 20.1 m -73.34 -46.96 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.0 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -50.92 -43.59 59.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.377 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.4 -54.05 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -179.13 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -39.68 73.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.64 ' HB ' HD21 ' A' ' 91' ' ' LEU . 18.3 p -61.18 -31.43 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.56 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.62 81.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.292 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 0.7 OUTLIER -66.46 -41.15 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.56 -25.64 66.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -51.87 -49.32 63.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.08 -36.99 72.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 9.2 mm-40 -60.06 -33.3 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.99 -37.32 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.212 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.53 -25.57 65.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.699 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 63.5 mtp180 -50.42 -50.54 51.69 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.741 -179.413 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -71.65 -41.03 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.766 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -94.3 39.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.828 -179.82 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.38 -21.85 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -97.52 -13.9 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.959 -179.79 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.4 tp10 -96.8 149.5 21.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -99.93 -52.52 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -74.39 108.78 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.8 mm -116.29 103.44 53.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.679 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.8 Cg_endo -69.99 119.92 6.77 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.335 2.023 . . . . 0.0 112.176 179.829 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -138.75 162.42 34.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 -179.791 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 39.2 tp -167.14 118.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.576 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -93.27 141.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.396 -179.437 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 168' ' ' VAL . 42.1 t -143.43 143.19 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.929 -179.572 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.27 121.53 5.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.327 179.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -91.72 -166.11 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.795 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.437 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.4 mmtt 61.69 14.64 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.369 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -59.8 -15.14 18.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.91 -8.92 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.454 179.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 96' ' ' THR . 42.2 mt -119.92 83.8 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.453 ' HG2' HH22 ' A' ' 136' ' ' ARG . 45.7 mt-10 -72.86 -36.05 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.58 -9.71 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.474 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HD3' HD13 ' A' ' 132' ' ' LEU . 73.5 mtp180 -114.16 -2.81 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.299 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.7 ttm180 -65.25 108.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -82.36 -33.46 28.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.421 -179.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.43 112.07 64.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.277 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 132.92 44.82 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.076 1.851 . . . . 0.0 111.549 179.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -53.34 -43.32 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.102 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.0 -47.73 80.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.99 -38.59 91.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.83 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.287 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.5 mtt180 -63.44 -51.76 64.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.362 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -55.57 -42.61 74.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -63.29 -48.56 77.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -57.09 -47.94 79.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.545 -179.323 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.86 -31.79 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.69 -48.79 63.35 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.767 0.318 . . . . 0.0 111.02 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -72.23 -16.57 61.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.95 19.08 18.2 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 -179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.41 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.5 m -119.02 175.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.065 0.46 . . . . 0.0 111.374 -179.677 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -119.72 130.81 55.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.735 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.576 ' HD1' HG22 ' A' ' 125' ' ' VAL . 37.1 t80 -94.8 135.77 35.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.062 0.458 . . . . 0.0 111.188 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.2 153.8 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -89.78 142.69 27.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.475 179.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 164' ' ' ASN . 46.6 p -147.67 164.48 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.078 0.466 . . . . 0.0 111.518 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.5 m -140.3 111.43 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.313 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.73 -1.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.487 -179.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -99.3 -36.24 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.929 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.8 p -98.47 -5.72 31.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.51 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.21 39.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.424 0.452 . . . . 0.0 111.904 -179.986 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.19 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.202 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -111.5 7.0 20.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.046 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.2 p -61.47 -41.81 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.76 -21.6 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.081 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -70.14 -31.51 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.871 -179.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.1 m -74.3 -29.07 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.694 0.283 . . . . 0.0 111.528 -179.1 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.58 -45.61 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.44 -34.96 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.84 -53.36 58.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 54.4 tp -64.12 -33.94 76.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.6 ttm -56.75 -44.95 82.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.1 mtp180 -64.46 -34.28 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.787 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -71.52 -30.89 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.574 -179.586 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.3 mt -69.68 -45.08 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 111.28 -179.808 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.532 HH12 ' HB3' ' A' ' 60' ' ' GLU . 13.0 ptm180 -74.46 -29.33 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.715 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.0 m -87.98 -59.59 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 182' ' ' SER . 82.5 tttt -70.51 -54.15 13.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -54.6 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -58.86 -12.9 4.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.742 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 40.2 m . . . . . 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.009 179.696 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.27 33.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -129.04 106.62 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -104.16 152.42 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -116.78 145.71 43.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.67 124.32 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.247 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.47 106.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.612 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.2 tpt -67.75 98.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.637 -179.695 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.0 p -117.17 153.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 164.92 85.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.964 -179.788 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.6 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.76 0.314 . . . . 0.0 111.339 179.449 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.04 -63.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.283 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.21 70.01 0.21 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.101 179.693 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -114.8 -56.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.687 0.28 . . . . 0.0 111.316 -179.574 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.16 37.04 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.236 -179.84 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.612 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 30.2 mtmm -54.32 -39.76 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.771 0.319 . . . . 0.0 111.263 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 83.8 p -62.74 -29.91 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.62 -52.45 57.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.827 -179.074 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -58.52 -24.93 61.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.258 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 34.1 m -73.84 -45.28 52.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.735 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.0 -30.23 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -71.41 -36.11 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.758 -179.355 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.45 -31.23 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.8 ttm -82.25 -49.43 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.292 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -100.45 -10.65 20.9 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.136 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.2 m-20 55.34 32.07 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.571 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.35 155.48 42.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.573 -179.487 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 52.0 t80 -95.83 109.45 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -133.31 139.68 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -86.57 120.0 27.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -164.83 165.37 20.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -140.04 125.93 19.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -139.15 103.85 7.31 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.65 146.69 92.65 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.348 2.032 . . . . 0.0 112.429 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -77.91 119.58 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -129.35 62.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.8 15.26 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.327 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -105.74 129.66 53.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -119.21 164.23 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -94.57 156.05 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -146.02 137.22 24.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.143 0.496 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -166.67 167.92 14.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.524 179.435 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' HB2' ' HG3' ' A' ' 63' ' ' GLN . 1.7 ttpt -129.48 133.72 47.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.884 0.374 . . . . 0.0 110.987 -179.126 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.98 154.4 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -72.14 145.62 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.78 100.56 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.1 31.3 16.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.448 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.44 -35.1 4.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.171 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 8.3 tp10 -83.81 114.0 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.401 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -78.17 114.88 17.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.22 145.04 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 54' ' ' LYS . 8.4 mt-30 -85.43 169.78 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.89 136.15 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -125.63 114.58 18.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.78 138.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 111.648 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.3 tp -135.26 129.47 33.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.71 165.63 15.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.6 p -130.6 -17.06 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.24 -173.06 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.256 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.786 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 48.7 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.86 0.362 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -52.49 -45.92 66.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -55.03 -38.64 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.47 -38.71 78.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.498 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -70.43 -29.61 66.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -81.51 -16.29 52.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.247 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -80.03 -47.81 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.034 -179.762 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.0 m -75.41 -0.31 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.53 155.94 18.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.809 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -108.75 -41.48 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.534 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.36 153.85 17.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -129.82 136.33 49.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -133.71 107.68 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.517 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.767 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -83.02 137.15 34.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.033 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 126' ' ' VAL . 39.8 t -141.0 110.44 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.668 -179.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.2 p90 -118.72 152.22 36.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.706 0.289 . . . . 0.0 110.454 178.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 17.4 t -92.05 141.35 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.0 pt -77.35 -28.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 132' ' ' LEU . 77.8 p -73.94 -18.47 60.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.751 179.692 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -120.63 102.51 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.87 -16.39 58.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -26.92 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.807 -179.559 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 m -69.11 -53.88 17.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.259 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.52 -36.39 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.225 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.8 p -73.01 -53.85 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.012 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.04 79.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.767 ' HB ' HD21 ' A' ' 91' ' ' LEU . 11.3 p -59.32 -33.19 70.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.041 179.699 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.91 86.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.251 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 13.9 mm-40 -61.94 -48.35 80.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -55.07 -29.01 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.729 -179.45 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -53.03 -49.28 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.29 -26.92 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.404 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.6 mt-30 -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.322 -179.444 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.23 -41.29 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.54 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -25.79 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.018 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 5.1 mmp_? -50.59 -50.55 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.188 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.64 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.5 m -69.68 -29.52 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.787 -179.36 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.64 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.0 mmtt -109.06 39.25 2.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.43 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.749 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.42 -36.28 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 1.9 mp0 -72.81 163.16 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -114.13 -56.04 2.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.421 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 13.5 mptt -72.06 111.5 7.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.713 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 36.7 mm -121.98 116.15 30.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.534 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.6 Cg_endo -75.57 123.65 7.72 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.34 2.027 . . . . 0.0 112.273 179.641 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -146.43 151.09 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.4 -179.769 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.4 tp -156.11 118.91 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.391 179.149 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.625 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -96.34 143.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.615 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 92' ' ' VAL . 3.1 p -144.73 159.65 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -128.58 111.24 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.051 179.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 94' ' ' SER . 28.3 p-10 -83.3 -165.64 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.506 -179.411 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' O ' HD11 ' A' ' 95' ' ' ILE . 29.8 mmtp 59.22 15.96 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -58.59 -19.54 39.32 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.72 -17.57 16.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.633 179.728 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.617 HD13 ' HD2' ' A' ' 135' ' ' ARG . 56.3 mt -108.14 86.01 2.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -72.6 -29.48 63.54 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.508 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.61 -22.2 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.517 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -99.19 5.8 46.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.7 ttm180 -78.6 109.27 12.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -92.47 -21.53 20.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 78.7 t -96.09 102.51 10.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.424 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 22.1 Cg_endo -61.33 128.6 25.44 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.137 1.891 . . . . 0.0 111.178 179.104 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -52.7 -43.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.75 -179.211 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 8.1 pt-20 -54.77 -41.45 70.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -179.494 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -75.33 -33.81 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.22 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.347 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 47.7 mtt180 -74.8 -43.01 56.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.4 t -57.53 -44.18 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.55 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.8 tmmm? -74.13 -47.96 32.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -54.49 -30.45 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.46 -31.79 72.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -50.93 -48.12 60.85 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.55 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.1 m0 -64.54 -24.31 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.673 179.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.63 15.34 15.46 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.253 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 123' ' ' LEU . 19.2 m -121.03 167.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.478 . . . . 0.0 112.111 -179.588 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -107.3 131.87 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.025 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.625 ' HD1' HG22 ' A' ' 125' ' ' VAL . 23.0 t80 -96.83 143.21 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.935 0.398 . . . . 0.0 111.145 -179.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.12 154.51 23.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -89.62 148.36 23.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.5 p -153.01 165.19 36.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.7 m -133.77 111.54 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.513 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.42 -1.87 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.015 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.35 -41.25 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 72.9 p -96.92 -4.27 40.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.971 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.89 38.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.161 179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.19 -55.58 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.818 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -108.65 14.75 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.666 -179.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.545 HG23 HD12 ' A' ' 30' ' ' LEU . 7.7 p -64.56 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.833 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.15 -14.34 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.609 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -60.89 -38.8 86.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.365 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.89 -26.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.89 -48.49 24.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.364 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.74 -49.67 37.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.884 -179.558 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.01 -45.69 79.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.26 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 tp -69.32 -40.04 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.143 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.4 ttp -57.4 -39.98 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.5 -34.81 78.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.729 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -66.91 -25.95 66.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -179.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.6 mt -71.58 -54.19 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.8 ptm180 -65.45 -28.73 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.928 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 99.5 m -88.41 -60.46 1.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.157 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.0 tttp -71.81 -54.8 9.01 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.086 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.0 tttm -61.15 -48.06 83.36 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.372 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.4 mmt -63.0 -17.48 62.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.391 -179.499 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 73.0 m . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.822 -179.998 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.74 138.9 48.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.6 tt -116.51 112.29 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.64 150.88 24.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.8 125.02 42.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.991 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.14 140.42 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.398 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.543 HD11 ' HA3' ' A' ' 86' ' ' GLY . 27.2 mm -103.95 109.18 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.954 179.708 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.622 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 3.4 tpt -65.52 92.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 179.762 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.5 p -102.14 161.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.335 -179.526 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.65 -156.63 19.41 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.268 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 25' ' ' VAL . 32.1 t -66.77 -62.07 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.397 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -34.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.326 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.37 43.97 1.17 Allowed Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 93' ' ' PHE . 73.2 t -93.88 -62.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.52 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.251 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 45.3 mtmt -52.72 -35.61 56.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.508 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.7 p -71.92 -30.03 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.96 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -52.47 65.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.726 -179.415 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -61.72 -25.0 67.16 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.211 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 28' ' ' SER . 57.3 m -71.91 -41.5 67.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.09 -45.45 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.74 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.6 mm100 -56.58 -35.23 67.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -72.92 -25.69 61.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.799 0.333 . . . . 0.0 111.173 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 tpp -82.05 -49.61 10.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.466 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.98 -8.27 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.082 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.92 29.78 19.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.608 -179.605 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -147.31 142.12 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.023 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -89.94 108.3 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -131.99 136.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.91 94.71 0.23 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -131.8 152.55 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -146.01 112.91 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.27 104.34 14.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 139.87 76.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.469 2.113 . . . . 0.0 112.41 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -96.88 129.3 44.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -114.72 -56.39 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.699 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -166.98 -6.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' H ' ' A' ' 48' ' ' ALA . 6.3 p-10 -80.96 135.79 35.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 m -112.08 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 29.1 m-85 -112.84 150.27 31.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.749 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.93 135.32 35.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -146.31 150.04 34.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.051 -179.474 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.87 126.47 44.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.05 150.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.17 134.0 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.7 tp -130.21 101.34 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.25 31.2 18.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.48 -35.46 5.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.565 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -87.73 114.23 24.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.84 116.83 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.68 148.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.493 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mt-30 -81.18 141.51 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.796 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 tt -114.12 139.81 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.994 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 17.1 t70 -125.94 119.67 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.815 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 31' ' ' THR . 70.9 mt -114.01 126.47 71.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.21 116.41 24.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.66 125.51 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 p -100.78 -25.25 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.02 -169.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.979 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -54.94 -33.87 62.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.248 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.49 -38.67 63.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 -179.707 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.23 -34.95 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.377 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.281 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 114' ' ' VAL . 76.2 m-85 -74.54 -13.36 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -84.27 -6.75 59.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.327 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -101.62 11.73 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.543 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.47 -179.19 18.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.699 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -125.81 -40.73 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.14 162.86 21.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.701 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -136.43 132.19 35.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 168' ' ' VAL . 2.1 tt -123.94 105.9 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -82.89 134.3 35.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' A' ' 126' ' ' VAL . 94.7 t -139.78 139.4 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 111.899 -179.926 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.3 p90 -149.02 163.51 37.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -101.49 144.05 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 179.656 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 129' ' ' LYS . 29.0 pt -75.69 -32.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.751 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 39.5 p -70.53 -13.57 62.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.793 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -124.62 98.17 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.89 -16.23 58.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.91 -26.04 62.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.227 0.537 . . . . 0.0 110.22 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.51 -53.85 20.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.759 -179.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.29 -35.07 67.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.0 p -72.54 -53.55 11.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.832 -179.622 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.27 80.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.3 p -58.04 -31.64 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.92 65.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -66.35 -44.1 84.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 179.662 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -62.86 -25.15 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -48.81 -45.96 41.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.46 -39.4 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.41 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 55.8 mt-30 -59.76 -27.38 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.078 0.466 . . . . 0.0 110.703 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.45 -45.34 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.72 -26.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.527 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 36.5 mtp180 -52.36 -50.63 61.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 83' ' ' PHE . 16.8 m -73.93 -41.79 53.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.752 -179.37 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -96.21 43.97 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.24 -179.665 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.48 -0.34 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -105.25 -36.94 7.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -82.39 143.78 30.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -80.69 -59.88 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -77.62 122.52 25.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.751 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.0 104.0 51.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.94 113.32 1.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.317 2.011 . . . . 0.0 112.298 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.9 tp -139.01 150.92 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 tp -157.46 120.14 3.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.646 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -88.24 140.43 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.413 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.513 HG11 HG11 ' A' ' 168' ' ' VAL . 60.7 t -141.79 147.82 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.429 -179.511 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -131.42 114.35 1.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.063 179.794 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -90.51 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.626 0.251 . . . . 0.0 110.546 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.574 ' HB3' HG12 ' A' ' 95' ' ' ILE . 12.0 tptm 65.92 9.77 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.39 -9.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.533 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.52 -5.85 12.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.967 0.413 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 135' ' ' ARG . 25.7 mt -124.37 88.26 2.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.97 -36.62 67.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.8 pt-20 -70.71 -20.79 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -179.645 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.564 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.6 mtt180 -105.61 4.55 30.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.24 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -75.73 108.35 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.465 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.07 -32.28 20.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.098 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.0 t -96.09 102.64 11.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.57 135.75 50.82 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.045 1.83 . . . . 0.0 111.287 179.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -50.04 -42.43 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.494 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.45 -47.06 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.686 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.031 -179.832 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.71 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.252 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtt180 -75.74 -35.46 60.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.231 -179.607 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -65.72 -51.64 57.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.401 -179.576 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -45.07 85.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.59 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.646 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.78 -179.543 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -51.98 -32.56 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.251 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -53.29 -42.38 66.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 110.806 179.606 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -67.28 -22.3 65.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.735 179.842 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.74 33.8 4.6 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.19 -176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.15 0.5 . . . . 0.0 111.463 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -125.43 133.77 52.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.477 178.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.565 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -95.12 139.02 32.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.081 0.467 . . . . 0.0 111.717 -178.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.14 154.16 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.91 146.98 24.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.044 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 37.2 p -148.46 167.21 25.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.204 0.526 . . . . 0.0 112.075 -179.026 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 p -149.02 109.44 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.386 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.17 1.34 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.519 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -98.4 -48.27 5.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.9 p -96.15 2.2 52.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.247 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? 33.2 45.63 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.004 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -55.94 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.963 -179.538 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -111.73 13.84 21.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.62 -179.398 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.7 p -60.79 -40.85 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.661 0.267 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.99 -30.84 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 179.434 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -55.08 -32.9 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.92 -179.355 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.2 m -74.88 -33.46 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.299 . . . . 0.0 111.678 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -75.41 -42.27 54.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -71.89 -39.15 69.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.86 -46.87 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.09 -32.55 73.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.7 ttm -57.33 -42.09 81.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.999 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.68 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 17.5 mm-40 -60.14 -52.59 64.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 59.6 mt -57.39 -31.95 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 1.4 mmp_? -70.44 -60.62 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.4 m -86.27 -59.12 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.562 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 57.0 tttp -57.81 -54.02 51.67 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.718 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 2.0 tmtp? -63.46 -49.99 71.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.578 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.3 mmt -71.33 -12.48 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.61 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 0.0 110.509 179.652 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.853 0.359 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.91 171.17 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -138.51 103.43 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -104.37 121.03 42.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -102.91 111.39 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.243 -179.638 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.33 132.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.6 mm -104.86 115.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.545 -179.558 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -72.03 88.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.016 179.494 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -95.84 155.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.56 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.23 -159.41 21.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.121 -179.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 87.9 p -68.36 -42.17 79.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.82 32.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.477 -179.763 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.13 47.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' OG ' ' A' ' 22' ' ' SER . 22.7 t -106.29 -53.29 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 111.025 179.873 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.74 34.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 89.4 mttt -46.67 -44.2 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 94.0 p -74.07 -29.39 61.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.318 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.48 -52.44 65.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.936 -179.118 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.655 HD12 HG23 ' A' ' 165' ' ' VAL . 2.9 mm? -64.02 -25.28 68.05 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.206 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 91.5 m -68.75 -43.16 76.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.19 -35.86 71.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.678 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.2 mm100 -67.1 -29.7 69.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.079 -179.668 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.45 -50.46 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.945 -179.824 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttm -82.09 -50.04 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.165 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.06 -25.45 24.18 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.3 t70 57.96 33.37 23.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.183 0.516 . . . . 0.0 109.978 -179.32 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.55 131.57 17.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.68 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -75.43 106.66 7.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.65 154.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.599 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.17 -90.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 47.11 89.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 111.502 -179.864 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -110.82 152.18 26.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -156.63 131.82 5.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.6 128.74 17.6 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.505 2.137 . . . . 0.0 112.126 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 m -67.82 121.99 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.022 -179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -124.05 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.12 -11.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.47 129.08 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.113 -179.783 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 p -122.06 161.41 23.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -93.79 157.63 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -142.46 139.8 31.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.638 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -157.07 143.81 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.013 -179.829 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 98.0 mttt -103.31 118.67 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.92 146.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.1 p -72.72 139.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.793 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD11 ' HG2' ' A' ' 174' ' ' ARG . 60.7 tp -131.02 99.03 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 56.41 30.74 17.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.69 -39.81 2.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.791 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.23 115.67 28.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 tt0 -73.16 127.12 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.288 -179.82 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 161.35 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.79 179.509 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 20.5 mt-30 -97.61 157.23 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 tt -131.55 137.83 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -119.95 117.18 27.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.445 HG21 HG23 ' A' ' 31' ' ' THR . 67.3 mt -116.49 133.5 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.594 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.83 134.04 52.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 179.488 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -50.76 -39.65 52.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.454 HG23 ' HB3' ' A' ' 67' ' ' LEU . 74.9 p 48.99 94.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.826 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.44 168.66 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 179.707 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.438 179.831 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.7 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.65 0.262 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -58.84 -29.86 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.15 -31.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.65 -34.78 67.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.397 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -74.67 -35.54 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.7 -23.44 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.823 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -80.71 -29.72 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.0 m -85.33 -3.32 58.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -118.61 165.26 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.605 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -112.25 -52.85 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.39 159.23 33.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.524 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -137.83 133.04 33.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.6 mt -127.6 105.05 8.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 179.618 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.8 123.27 29.19 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.161 179.601 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 126' ' ' VAL . 39.4 t -126.75 130.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.939 -179.164 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -147.15 149.96 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.243 178.57 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -90.71 154.27 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.622 HG12 ' HB3' ' A' ' 129' ' ' LYS . 23.7 pt -78.34 -37.73 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.294 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.423 ' N ' HG13 ' A' ' 95' ' ' ILE . 40.4 p -65.26 -22.82 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.404 -179.773 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.25 95.25 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.22 -16.15 59.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.405 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -73.32 -27.3 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -178.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 80.6 p -70.22 -53.46 16.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.17 -38.3 57.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 69.7 p -72.25 -53.61 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.806 -179.393 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.0 -39.56 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.62 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.6 p -57.94 -31.95 67.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.305 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.824 179.68 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.86 -44.34 90.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 179.801 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -58.84 -27.38 65.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -55.83 -44.35 77.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 179.637 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.93 -36.58 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.496 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 58.1 mm-40 -59.82 -28.66 67.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.049 0.452 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.19 -41.81 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.98 -26.45 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.954 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.3 mmm180 -50.52 -50.63 52.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.809 0.337 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' A' ' 115' ' ' LYS . 15.1 m -70.57 -21.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.545 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -110.63 45.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.614 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.54 -37.53 27.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.08 -39.23 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 63.45 141.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.621 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' ' 120' ' ' LYS . 23.0 t70 -172.11 -60.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 179.847 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 73.1 mmtt -145.41 93.85 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mm -99.85 103.8 24.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.434 -179.183 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 96.8 Cg_endo -81.59 123.41 4.28 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.377 2.051 . . . . 0.0 112.128 179.427 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 61.9 tp -142.45 160.42 40.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 111.332 -179.571 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 90' ' ' LEU . 52.5 tp -161.65 131.83 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.202 179.235 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.9 p -107.25 144.33 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 112.044 -178.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.524 ' HB ' HG11 ' A' ' 168' ' ' VAL . 3.5 p -139.58 152.01 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.7 104.34 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.817 179.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 157' ' ' THR . 28.1 p-10 -83.67 -167.4 1.7 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.261 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.622 ' HB3' HG12 ' A' ' 95' ' ' ILE . 35.4 tptt 67.27 9.52 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.404 ' HA ' HH21 ' A' ' 136' ' ' ARG . 46.8 t -59.66 -12.12 6.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.469 -179.468 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -12.8 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.594 179.715 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 35.9 mt -118.13 88.27 2.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.73 -32.19 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.355 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.22 -14.15 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 29.0 mtp180 -109.72 11.61 24.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.162 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.5 ttm105 -75.77 111.48 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 0.0 110.723 179.839 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -89.98 -20.31 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.18 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.01 99.49 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.355 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 18.4 Cg_endo -59.86 135.25 62.13 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.193 1.929 . . . . 0.0 111.373 179.078 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.56 -43.54 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.741 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.8 -49.4 71.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.499 -179.541 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.439 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 43.8 tt0 -68.28 -31.49 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.37 -28.89 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.449 -179.75 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.4 mtt180 -76.21 -38.34 56.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.0 t -64.09 -36.18 83.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.506 -179.332 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -45.7 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.878 -179.565 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.29 -39.44 94.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.6 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.73 -32.84 63.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -52.47 -46.03 66.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.02 -28.77 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.83 30.32 3.27 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.478 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.6 165.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.462 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -106.99 127.36 53.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.503 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.6 t80 -94.96 143.1 26.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.88 153.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.58 -179.744 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.84 138.69 31.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.287 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 164' ' ' ASN . 73.9 p -145.97 168.25 21.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.401 . . . . 0.0 111.444 -179.408 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -132.26 110.43 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.455 179.548 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.15 0.39 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.519 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -99.83 -41.89 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.2 p -91.22 -3.69 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 36.13 38.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.976 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.8 -56.04 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.869 -179.458 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.711 ' HB2' HG22 ' A' ' 157' ' ' THR . 62.9 m-20 -112.12 20.4 16.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.578 -179.45 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 30' ' ' LEU . 6.9 p -67.37 -40.48 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.627 0.251 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.65 -14.78 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.363 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 20.1 ttmm -59.54 -37.3 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.524 HG11 ' HB ' ' A' ' 126' ' ' VAL . 25.1 m -75.72 -26.77 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.418 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -74.01 -48.48 29.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.29 -40.67 67.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.753 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.37 -51.82 67.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.7 tp -67.92 -33.18 74.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.8 ttm -54.11 -51.48 64.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.819 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.418 ' HG2' HD11 ' A' ' 57' ' ' LEU . 99.5 mtt180 -65.12 -34.51 78.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.68 -31.06 71.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 80.9 mt -72.78 -55.12 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.388 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.28 -26.39 68.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.045 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.3 m -87.91 -59.79 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.304 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 81.5 tttt -71.21 -54.23 11.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.144 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 53.7 tptt -59.0 -55.68 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.0 mmt -63.04 -16.51 60.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.689 -179.344 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.0 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.671 0.272 . . . . 0.0 110.974 -179.763 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 159.5 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.2 tt -136.26 119.61 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 -179.899 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -107.87 151.97 25.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 54.3 mttp -129.81 110.27 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.539 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 66' ' ' ILE . 7.6 p -104.49 126.88 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.602 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -108.44 114.63 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.253 -179.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.59 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 91.3 mmm -65.95 91.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.6 p -100.72 166.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -179.731 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.1 -151.96 10.73 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 104' ' ' THR . 58.9 p -72.64 -37.37 68.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.105 0.479 . . . . 0.0 110.474 179.812 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.48 -28.0 3.18 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.034 -179.724 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.87 74.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.299 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.4 t -134.94 -48.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.739 0.304 . . . . 0.0 111.256 -179.695 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.51 44.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.759 179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 16.9 ptpt -55.01 -25.17 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 179.769 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -82.75 -29.39 29.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.3 -52.2 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.025 -178.693 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -62.54 -24.7 67.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.315 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 28' ' ' SER . 51.2 m -70.61 -45.67 64.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -70.08 -29.43 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.66 -179.25 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HB2' HG11 ' A' ' 165' ' ' VAL . 12.7 mm100 -74.84 -37.94 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.03 -40.56 65.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.549 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 68.4 mtp -82.23 -50.06 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -178.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -103.04 -24.41 13.63 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.8 m-20 62.3 35.54 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.061 -179.132 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.85 131.39 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.603 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.51 111.71 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 42' ' ' ASP . 18.9 t -125.84 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.8 -23.07 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.295 -179.674 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.701 ' H ' HG12 ' A' ' 40' ' ' VAL . 20.4 t70 -66.03 156.59 33.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.278 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -157.81 149.52 21.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 42.9 mt-10 -128.39 147.18 62.78 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 8.0 Cg_exo -72.12 157.96 53.1 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.772 2.315 . . . . 0.0 112.191 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 48' ' ' ALA . 62.4 m -83.11 110.88 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -88.36 35.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 46' ' ' THR . . . 64.15 11.83 6.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.261 -179.857 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.61 128.38 45.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.8 m -94.8 158.49 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 12.7 m-85 -100.14 142.59 31.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.3 179.727 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 37.0 ttm180 -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.208 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.2 164.9 37.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -93.01 124.72 37.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.81 150.16 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.317 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 36.3 t -97.16 143.64 12.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 tp -143.3 108.31 4.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 54.67 30.87 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.0 -39.36 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.598 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.33 115.92 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.9 tt0 -84.9 115.81 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.684 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.89 154.68 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.538 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt-30 -89.38 143.71 26.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 17.2 tt -113.82 145.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.605 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.6 t70 -129.18 121.23 27.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.975 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.401 HG12 HG13 ' A' ' 17' ' ' VAL . 97.8 mt -119.63 140.13 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -143.51 122.42 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.1 144.2 25.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.9 p -108.31 -40.56 5.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.97 -172.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.236 179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.445 179.801 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.7 mt . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -60.26 -48.13 83.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.697 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.25 -35.0 77.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.35 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.61 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -54.43 -35.94 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.547 -179.649 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -76.84 -38.48 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.274 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' HB2' HG11 ' A' ' 114' ' ' VAL . 38.7 m-85 -67.33 -19.76 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 79.8 mtm180 -72.56 -38.95 67.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.707 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.0 p -77.77 2.07 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.67 166.76 12.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 179.774 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.591 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 18.1 mm-40 -113.44 -69.98 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.571 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.75 158.56 32.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -124.7 143.02 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -126.94 104.69 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.581 HD11 ' HB ' ' A' ' 104' ' ' THR . 16.6 tp -82.46 127.61 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.735 -179.836 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.85 140.8 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.757 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.709 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.4 p90 -146.26 171.76 14.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.636 179.206 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 68.1 m -105.12 129.68 53.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 pt -63.55 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.7 t -86.15 -14.17 44.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 11.9 mm-40 -113.51 94.09 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -62.74 -16.76 59.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.55 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 m -75.64 -53.64 8.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.6 -179.125 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -52.35 -32.93 40.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -179.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.84 -54.53 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.721 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.87 -36.68 84.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.043 -179.552 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -53.02 -37.94 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.131 0.491 . . . . 0.0 110.53 179.56 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.95 -30.84 61.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.649 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.97 -30.72 67.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.44 -24.64 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.696 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' ILE . 31.9 mtp-105 -49.64 -37.4 28.12 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.865 0.365 . . . . 0.0 111.032 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.2 -36.9 82.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -71.02 -26.82 63.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 110.307 179.603 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' ARG . 91.9 mt -69.81 -37.39 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.07 -26.25 65.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -50.73 -51.59 48.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.79 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -65.35 -33.98 67.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.638 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -109.96 57.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.142 179.203 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.79 -41.31 32.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.589 -179.487 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.48 -48.18 74.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.916 0.388 . . . . 0.0 110.456 179.438 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 121' ' ' ILE . 38.9 tt0 54.92 97.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.665 179.665 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.21 -45.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.009 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.467 ' O ' ' HD3' ' A' ' 122' ' ' PRO . 72.4 mmtt -148.16 77.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.129 179.394 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 118' ' ' GLU . 16.7 mm -81.39 108.45 10.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.798 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 87.0 Cg_endo -83.49 104.05 1.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.039 . . . . 0.0 112.22 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 41.5 tp -116.39 163.1 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.661 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 29.9 tp -158.63 121.22 3.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.165 179.772 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.927 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -99.69 139.78 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.12 0.486 . . . . 0.0 111.634 -179.109 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.555 HG11 HG11 ' A' ' 168' ' ' VAL . 11.8 t -144.31 150.38 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.29 179.581 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.87 124.55 5.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.608 -179.755 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.44 -164.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.451 ' HB3' HD12 ' A' ' 132' ' ' LEU . 34.4 mmtp 56.07 20.35 4.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.79 -179.744 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.3 m -61.23 -17.06 51.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -79.52 12.94 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 129' ' ' LYS . 36.7 mt -123.48 79.28 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.99 -20.07 61.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.317 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -91.56 -38.89 12.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.228 -179.729 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.6 mtt180 -81.93 2.14 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.386 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.3 ttm180 -64.61 107.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.16 -32.85 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.075 179.473 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.71 111.79 63.77 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.433 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.01 124.71 14.43 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 121.891 1.728 . . . . 0.0 111.546 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.8 p -49.78 -40.03 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.763 -179.589 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.23 -47.54 76.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.824 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.99 -30.42 67.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.93 -28.6 64.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.773 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.1 mtt180 -73.75 -34.79 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.191 -179.757 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -65.58 -46.3 79.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.338 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.452 ' NZ ' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.09 -46.34 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.638 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.927 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.97 -48.83 75.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.903 -179.303 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -50.95 -31.72 18.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.451 ' HG3' ' HE2' ' A' ' 146' ' ' LYS . 9.8 mm-40 -52.66 -42.06 64.37 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.628 0.251 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.452 ' NE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.6 m0 -71.62 9.49 0.84 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.7 75.02 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.623 179.726 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 150' ' ' TRP . 31.3 m -126.17 154.33 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.34 -179.915 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -95.35 128.73 42.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.801 178.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.603 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.1 t80 -95.11 128.32 41.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG13 ' A' ' 126' ' ' VAL . 7.4 p -121.94 154.35 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.539 -179.415 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.48 136.27 33.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 48.5 p -141.64 172.62 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.403 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 56.4 m -148.63 110.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.375 179.729 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.447 -179.6 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -99.26 -38.96 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 47.7 p -97.5 -4.12 38.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.569 -179.641 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.407 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 2.6 ppt_? 35.04 39.26 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.496 0.498 . . . . 0.0 111.866 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.12 4.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.211 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -112.03 10.02 20.41 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.246 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 168' ' ' VAL . 59.8 t -64.44 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.31 -14.48 61.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 179.405 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -76.97 -30.74 56.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.835 -179.222 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -72.88 -30.06 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.532 -179.273 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.84 -44.77 47.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -71.74 -30.52 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.259 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.54 -53.89 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.9 -32.06 73.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.692 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.16 -37.14 64.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.36 -37.0 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.72 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.688 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.521 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 62.5 mt -58.65 -32.27 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -73.53 -54.93 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.901 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.3 m -87.59 -59.33 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.4 tttp -57.44 -54.16 49.96 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.493 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.4 ttmm -64.38 -51.84 61.25 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.738 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 56.0 mtt -64.63 -13.46 53.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.674 -179.258 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 5.6 m . . . . . 0 C--N 1.333 -0.146 0 CA-C-O 120.701 0.286 . . . . 0.0 110.744 179.65 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.59 171.72 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.233 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -139.51 106.58 5.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -105.64 152.68 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 94.3 mttt -127.89 131.49 49.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.57 132.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.375 . . . . 0.0 111.279 179.726 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -110.77 112.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 97.4 mmm -67.81 95.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.752 179.671 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.3 p -101.29 159.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.705 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -175.4 -160.54 23.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.699 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 26.1 t -61.1 -46.19 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.17 -6.31 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.382 -179.72 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.77 54.52 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.216 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 93' ' ' PHE . 52.5 t -114.6 -35.53 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.623 0.249 . . . . 0.0 111.4 -179.669 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.21 50.71 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.745 179.715 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.58 -35.6 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.109 0.481 . . . . 0.0 110.638 179.864 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.525 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -67.29 -29.05 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.137 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.15 -52.57 64.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.203 -178.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -62.13 -25.06 67.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.0 m -68.88 -48.58 63.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.565 -179.563 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.94 -30.73 67.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.622 -179.599 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' HB3' HG11 ' A' ' 165' ' ' VAL . 29.0 mm-40 -71.93 -31.69 66.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.92 -39.22 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 179.717 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -82.59 -49.76 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.271 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 -26.3 12.23 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.137 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.63 30.7 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.084 0.469 . . . . 0.0 110.193 -179.325 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.444 ' C ' HE22 ' A' ' 33' ' ' GLN . 9.6 tp10 -134.89 127.45 30.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.379 -179.65 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.47 116.84 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.77 139.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.867 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.95 97.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -166.36 126.86 1.68 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -152.73 147.89 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -127.02 147.51 61.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.963 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_exo -58.12 150.59 64.42 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.572 2.181 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.1 m -94.79 104.73 16.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -102.87 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.783 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.38 3.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 48' ' ' ALA . 15.1 m-20 -76.19 127.84 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -111.62 162.12 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 45.7 m-85 -109.37 138.18 46.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.679 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -137.29 142.97 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -163.61 136.78 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -80.33 121.29 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.211 -179.749 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -137.27 138.07 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.7 p -81.87 144.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 111.329 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 HH11 ' A' ' 177' ' ' ARG . 55.6 tp -137.15 108.06 6.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.629 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 56.37 30.92 17.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.35 -36.89 3.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.436 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -85.92 116.31 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 34.6 tt0 -82.77 132.88 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -179.809 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.4 153.68 22.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.63 129.51 37.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 tt -105.54 137.45 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.8 t70 -121.98 113.6 19.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.395 179.621 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.28 140.7 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.659 -179.337 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -133.27 99.17 4.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.69 132.27 53.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 -179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.6 p -125.0 126.09 44.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.88 -166.18 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.254 179.757 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.4 mt . . . . . 0 C--O 1.232 0.174 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -66.55 -46.14 77.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.781 179.426 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.44 -30.82 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 27.5 t-20 -52.41 -37.34 56.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.319 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -73.08 -39.76 65.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.661 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.3 m-85 -63.48 -26.59 68.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.566 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 76.9 mtm180 -83.63 -11.63 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.476 -179.671 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -84.38 -12.65 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.138 -179.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.21 161.83 22.0 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 33.8 mt-10 -100.75 -37.85 8.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.711 179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.631 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -95.23 157.5 22.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.298 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -132.09 142.92 49.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -134.1 105.88 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.744 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.88 134.79 35.07 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.43 139.61 41.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.497 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HA ' HG21 ' A' ' 25' ' ' VAL . 13.3 p90 -147.99 145.02 28.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.775 179.166 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HG13 ' A' ' 25' ' ' VAL . 28.7 t -83.01 145.19 29.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 23.9 pt -78.06 -33.81 18.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.658 179.623 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 22.7 p -66.55 -17.63 64.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.419 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -119.34 100.46 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.402 ' HB2' ' NE2' ' A' ' 137' ' ' GLN . 56.8 t-80 -63.03 -17.02 61.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.921 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.0 -26.27 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 110.489 -179.619 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 35.1 m -66.24 -53.94 31.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.277 -179.503 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -56.57 -39.58 73.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.519 -179.806 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.7 p -72.65 -53.46 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -179.296 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.13 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.282 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.658 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.0 p -54.65 -31.05 56.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.496 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.03 80.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.027 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.5 -42.86 97.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.707 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.96 -27.74 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.327 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -48.66 -49.44 37.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.68 -40.33 73.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -58.13 -28.72 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.81 -26.53 66.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.38 -179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -60.46 -50.44 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.565 -179.611 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 83' ' ' PHE . 4.4 m -68.87 -17.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.65 -179.565 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.8 mmtt -125.07 38.69 4.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.788 179.811 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.62 -20.0 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.6 mm-40 -95.94 142.45 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.77 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.38 -64.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.757 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.7 111.22 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mm -113.21 106.67 54.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.631 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 45.0 Cg_endo -67.02 111.99 2.37 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 0.0 112.221 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.1 tp -127.69 152.51 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.446 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.6 tp -154.54 116.87 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.129 179.581 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.654 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -92.82 138.24 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.453 -179.244 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 168' ' ' VAL . 15.3 t -141.84 155.3 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -113.83 136.01 12.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.06 179.528 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -105.1 -179.38 3.93 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? 58.19 20.97 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -64.96 -8.21 14.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.29 -8.74 26.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.505 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.36 77.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -72.64 -20.06 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.4 pt-20 -82.24 -20.77 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.406 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 99.7 mtt180 -107.57 1.8 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.487 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.3 ttm180 -64.93 108.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' A' ' 98' ' ' HIS . 10.4 tt0 -83.47 -32.82 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.235 -179.586 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.63 108.26 26.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.02 125.36 15.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 121.986 1.79 . . . . 0.0 111.205 179.235 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.37 -42.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.546 -179.439 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.23 -49.24 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.387 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.54 -27.27 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.455 179.716 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.05 -28.76 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 66.5 mtm180 -77.31 -42.58 36.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.1 t -56.76 -47.62 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.374 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 1.5 tmmm? -66.57 -48.41 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.15 -38.4 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.564 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.69 -31.79 72.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.63 -39.53 50.65 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.828 0.346 . . . . 0.0 110.831 179.761 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.5 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 41.2 m0 -73.27 -27.88 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.56 18.17 8.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.088 -179.656 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.87 -175.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.074 0.464 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.87 129.79 51.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.281 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.654 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.8 t80 -94.82 143.43 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 111.25 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.49 155.03 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.15 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.29 147.16 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -150.49 149.75 30.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.985 0.421 . . . . 0.0 111.625 -179.508 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.9 m -115.79 110.03 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.46 179.609 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.83 -1.1 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.455 -179.815 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -96.52 -39.44 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.8 p -97.1 -6.1 35.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.486 ' HB3' ' HB3' ' A' ' 33' ' ' GLN . 6.4 ppt_? 34.83 39.2 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.863 -179.731 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -55.22 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.854 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -110.35 14.73 22.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.945 -179.005 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.61 -41.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.281 -179.806 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.44 -25.04 60.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.11 -31.49 68.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.72 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 126' ' ' VAL . 3.4 m -79.17 -29.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.672 0.272 . . . . 0.0 111.386 -179.567 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -73.06 -43.39 62.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.475 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.14 -41.01 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.84 -47.85 79.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 124' ' ' LEU . 58.0 tp -66.2 -34.96 79.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 52.4 ttm -57.54 -37.56 73.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.1 -34.71 76.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.12 -48.58 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.8 mt -57.89 -32.18 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.424 HH11 HD23 ' A' ' 57' ' ' LEU . 78.3 mtp180 -74.98 -50.82 15.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.945 -179.358 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.4 m -87.34 -58.9 2.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.488 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.75 -54.18 48.34 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.53 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.9 tttp -63.05 -56.03 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.44 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.49 -12.68 33.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 42.5 t . . . . . 0 C--N 1.331 -0.228 0 CA-C-O 120.736 0.303 . . . . 0.0 111.02 179.897 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.9 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.32 148.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -123.51 111.96 16.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -111.81 136.05 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 99.7 mttt -109.39 115.34 29.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.6 130.16 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -110.55 131.84 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.649 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 90.8 mmm -78.22 82.12 4.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.557 179.588 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.1 p -85.37 158.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 176.48 -161.13 29.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.823 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 104' ' ' THR . 59.8 p -63.54 -45.08 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.22 -45.11 0.88 Allowed Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.059 -179.658 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.19 86.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.138 -0.554 . . . . 0.0 111.932 179.604 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' HA ' ' A' ' 93' ' ' PHE . 19.7 t -134.74 -59.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.35 -179.354 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.68 46.52 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.131 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -61.32 -45.09 95.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.52 -179.652 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 31' ' ' THR . 17.0 p -50.96 -29.45 12.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.283 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.76 -52.72 63.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.186 -179.028 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.69 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.02 -25.06 68.21 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.552 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 68' ' ' ASP . 43.9 m -70.2 -42.66 72.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.358 -179.83 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.3 -31.37 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.424 -179.729 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.583 HE21 ' HB3' ' A' ' 162' ' ' ARG . 9.8 mm100 -72.8 -27.82 62.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 111.382 -179.458 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -73.18 -47.78 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 0.0 111.31 179.716 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.5 tpp -82.14 -49.4 10.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.676 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -91.59 -29.93 16.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.231 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 59.36 36.89 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.219 0.533 . . . . 0.0 109.963 -179.074 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -148.45 128.49 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.294 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -77.87 112.37 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.2 p -145.23 148.66 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.18 8.42 2.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG22 ' A' ' 40' ' ' VAL . 17.6 t70 -67.01 150.45 49.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.786 179.894 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -150.83 151.26 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -134.97 116.52 12.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.44 147.61 56.58 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.249 1.966 . . . . 0.0 111.959 179.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 69' ' ' THR . 86.3 m -134.78 125.45 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.328 -179.791 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -116.02 -30.44 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.398 179.483 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.61 4.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.207 179.777 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' H ' ' H ' ' A' ' 48' ' ' ALA . 3.8 p30 -98.55 135.74 39.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 67' ' ' LEU . 24.4 t -128.08 176.77 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.244 -179.661 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -96.27 155.6 16.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -151.04 129.77 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.969 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -153.04 169.94 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 94.7 mttt -109.84 131.72 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.278 -179.813 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.8 m -139.47 138.56 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.645 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -83.74 144.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -133.21 94.99 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.24 30.58 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.91 -56.21 0.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.319 179.491 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -79.92 121.98 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 112.029 -179.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.6 tt0 -88.76 114.48 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.634 179.66 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.33 149.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.49 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.521 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.7 mt-30 -88.05 153.99 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.27 142.47 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.18 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.3 t70 -118.12 118.81 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 31' ' ' THR . 70.6 mt -109.94 111.31 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 111.642 -179.641 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 50' ' ' SER . 2.2 tm? -92.83 110.45 21.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.031 179.662 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HB3' HG21 ' A' ' 31' ' ' THR . 6.9 p-10 -94.65 -172.09 2.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.624 -179.178 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 46' ' ' THR . 92.4 m 63.63 101.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.14 -87.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.205 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.013 -179.611 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.936 0.398 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -61.9 -31.52 71.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.925 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -50.21 -36.88 32.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -46.83 74.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.403 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.6 -28.22 41.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -86.76 9.18 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.06 155.45 21.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.599 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.8 -71.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -83.04 156.94 34.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.281 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -127.87 135.79 50.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.695 0.283 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.568 HD23 ' SD ' ' A' ' 19' ' ' MET . 24.7 tp -120.93 106.42 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 179.855 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.9 -179.605 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 126' ' ' VAL . 12.6 p -110.91 132.96 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.611 ' HA ' HG21 ' A' ' 25' ' ' VAL . 1.2 p90 -136.24 178.09 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 178.851 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.409 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -110.89 131.57 54.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.467 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 39.2 pt -69.67 -29.5 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.249 179.109 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.2 p -70.33 -15.76 62.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.624 179.283 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.45 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 44.1 mt-10 -124.63 96.65 4.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -61.77 -16.01 46.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.756 179.707 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 15.3 pt-20 -72.42 -26.38 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.659 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.0 m -68.34 -53.49 23.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.65 -179.428 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.69 -35.46 61.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.411 . . . . 0.0 111.715 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 p -72.02 -53.33 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.817 -179.182 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.44 -34.54 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.952 -179.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 12.3 p -58.81 -31.08 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 110.111 179.336 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.21 75.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.02 -43.87 91.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.443 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.76 -27.34 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -53.09 -45.47 68.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.85 -34.77 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.672 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -64.04 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.23 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.34 -40.23 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.58 -30.66 70.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.21 -49.63 59.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.267 -179.71 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 114' ' ' VAL . 3.3 m -66.73 -13.3 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.06 41.95 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.43 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.321 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.52 142.03 29.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -95.78 -51.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 0.9 OUTLIER -78.81 96.25 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.992 -179.86 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.96 109.05 42.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.554 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 56.4 Cg_endo -69.22 118.46 5.69 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.547 2.165 . . . . 0.0 112.885 -179.491 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.89 165.76 21.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.818 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 90' ' ' LEU . 29.2 tp -169.05 110.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.536 178.42 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.663 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -88.54 142.78 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.51 -178.804 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 92' ' ' VAL . 11.5 p -152.28 149.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.07 114.96 2.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.146 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -79.42 -162.55 0.42 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.787 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 73.1 mmtt 60.96 14.14 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.491 ' HA ' HH21 ' A' ' 136' ' ' ARG . 71.4 m -56.49 -15.14 3.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.427 -179.731 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.2 6.9 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.727 179.442 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.508 HD13 ' HD2' ' A' ' 135' ' ' ARG . 71.3 mt -128.71 77.94 1.81 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.507 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -73.15 -15.0 61.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.7 pt-20 -91.14 -10.6 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.086 -179.864 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -116.22 1.95 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.507 HH12 ' HG2' ' A' ' 133' ' ' GLU . 45.3 ttm105 -70.86 108.74 4.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 110.267 179.508 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -93.65 -27.23 16.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.483 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -94.84 109.18 42.52 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.453 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 133.26 50.34 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.154 1.903 . . . . 0.0 111.455 179.153 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -53.79 -47.87 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 140' ' ' VAL . 38.9 mt-10 -58.38 -48.3 81.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.66 0.267 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.42 -35.74 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.307 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.31 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.598 179.626 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 86.4 mtt180 -74.49 -37.73 63.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.864 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -60.6 -41.88 95.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.451 -179.419 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -48.35 20.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.0 -179.581 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.595 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -61.5 -30.44 70.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.38 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.53 -32.01 72.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 -179.458 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.52 -46.11 63.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 179.381 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -68.22 -23.04 64.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 179.453 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.97 12.29 24.33 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.28 170.14 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.321 0.581 . . . . 0.0 112.335 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.71 157.72 20.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.838 179.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.663 ' HD1' HG22 ' A' ' 125' ' ' VAL . 31.2 t80 -118.84 141.51 48.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.514 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.01 153.87 30.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.238 179.881 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -93.47 140.32 29.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 77.5 p -145.25 163.76 33.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.081 0.467 . . . . 0.0 111.745 -179.614 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.5 p -141.27 110.28 6.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.595 179.572 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -59.81 -21.15 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.496 -179.792 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.9 -55.65 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.603 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -89.6 0.61 56.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.484 -179.482 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.583 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.0 ppt_? 33.62 41.41 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.549 0.531 . . . . 0.0 111.944 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.22 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.193 -179.26 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 167' ' ' LYS . 2.9 m-20 -111.84 19.6 17.81 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.241 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 168' ' ' VAL . 90.9 t -66.76 -49.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.731 0.3 . . . . 0.0 110.683 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -71.68 -14.3 62.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -61.23 -39.3 89.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.218 -179.418 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.6 m -77.97 -26.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.63 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.73 -45.54 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.629 179.789 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.03 -39.51 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.028 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -53.51 56.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.168 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.16 -35.81 79.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.8 ttp -60.57 -41.25 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 -179.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -69.83 -34.61 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.541 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -62.34 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.439 HD11 ' HA3' ' A' ' 88' ' ' GLY . 90.2 mt -71.87 -52.41 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -58.16 -37.12 74.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.962 -179.292 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.3 m -88.07 -58.87 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.646 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 82.0 tttt -69.79 -54.31 14.22 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.643 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 22.2 ttpp -58.27 -41.83 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.593 0.235 . . . . 0.0 111.608 -178.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 40.8 mtt -76.51 -15.23 59.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -179.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.757 -179.893 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.41 172.81 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -139.33 102.83 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -104.38 152.33 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -179.808 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -125.81 128.98 48.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.871 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.02 132.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.7 mm -114.21 132.77 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 179.732 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mmt -85.15 93.19 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.03 179.64 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -101.88 160.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.587 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 162.96 -155.78 27.27 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.576 ' N ' HG22 ' A' ' 104' ' ' THR . 29.1 t -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.663 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.28 29.25 0.25 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.399 -179.855 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.52 80.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.617 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 1.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 111.291 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.91 44.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.688 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 32.3 mtmm -66.62 -56.82 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.8 p -58.05 -29.59 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.847 179.45 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.97 -52.95 61.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.7 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 92' ' ' VAL . 2.8 mt -59.03 -25.44 63.7 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.22 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.5 m -69.96 -58.03 4.33 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.342 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.72 -31.09 57.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.6 -179.282 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.501 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.9 mm100 -67.59 -43.5 80.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -73.01 -25.36 60.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 111.416 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 31' ' ' THR . 95.9 mmm -81.73 -49.33 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.18 -6.23 13.03 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.178 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.1 m-20 58.78 34.47 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.78 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -149.78 142.62 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -179.648 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -90.3 105.68 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.14 144.12 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.778 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.74 115.41 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.69 -60.58 1.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.1 t80 61.51 105.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.282 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.29 93.12 2.27 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.87 179.696 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.59 127.72 26.52 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.588 2.192 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -81.21 162.96 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -113.31 -44.84 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.23 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.41 133.08 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -111.62 176.92 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -102.06 125.76 48.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.86 131.04 54.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 179.47 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -142.67 136.48 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.59 120.25 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.9 m -132.09 159.78 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -94.75 139.97 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.3 tp -138.09 101.68 4.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 57.19 31.26 19.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.03 -25.05 29.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.6 114.16 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 111.106 -179.894 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.77 116.53 18.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.2 m -120.7 142.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.271 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.98 136.33 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.782 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -111.51 135.84 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -118.81 113.58 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG23 ' A' ' 31' ' ' THR . 36.8 mt -115.12 134.06 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.217 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.8 tp -136.19 137.4 40.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -89.61 114.67 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.2 p -87.8 -22.65 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -166.87 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.289 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.665 179.911 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -66.11 -27.03 67.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.039 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.67 -30.93 71.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.77 -40.86 56.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.305 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -64.22 -43.24 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -179.614 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.651 ' HB2' HG11 ' A' ' 114' ' ' VAL . 32.4 m-85 -65.28 -30.24 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.803 179.84 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -81.38 -21.92 38.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -85.6 6.37 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.84 172.77 21.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.47 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -118.02 -26.18 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.621 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -114.01 158.88 14.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.425 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -133.98 140.19 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.074 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 172' ' ' LEU . 10.5 mt -129.26 109.74 11.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.742 179.196 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.9 tp -82.13 126.3 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.993 179.811 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 30' ' ' LEU . 43.5 t -131.42 138.85 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.452 . . . . 0.0 112.17 -179.389 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 104' ' ' THR . 9.8 p90 -148.87 151.77 35.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.195 178.597 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 36.3 m -87.44 127.89 35.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 96' ' ' THR . 40.2 pt -60.95 -39.69 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.898 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 97' ' ' GLU . 6.0 t -71.37 -12.42 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 39.6 mt-10 -118.11 93.88 4.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.707 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.97 -16.21 58.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.207 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.62 -26.26 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.852 -179.338 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 104' ' ' THR . 17.6 m -74.45 -53.11 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.774 -178.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -48.85 -38.21 21.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 0.0 111.62 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.75 -53.61 11.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.999 -179.595 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -36.59 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.326 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 43.3 p -58.56 -34.49 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.063 0.459 . . . . 0.0 110.772 179.757 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.74 73.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.31 -179.674 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.27 -43.32 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.771 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -66.33 -25.85 67.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -54.14 -44.84 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.523 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.01 -34.45 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.754 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.456 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 78.9 mt-30 -60.82 -30.05 69.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.38 -45.77 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.94 -26.74 66.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.247 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 110' ' ' GLN . 70.5 mtp180 -64.75 -51.05 64.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.48 -179.767 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.651 HG11 ' HB2' ' A' ' 83' ' ' PHE . 1.4 m -62.44 -22.75 30.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 110.574 179.674 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -114.33 51.14 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.075 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.21 -40.37 16.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.092 -179.211 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.62 -46.57 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.35 121.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.141 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -148.8 -61.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.588 179.108 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.509 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mmtt -146.42 92.8 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.572 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mm -95.21 104.08 14.11 Favored Pre-proline 0 N--CA 1.463 0.188 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.63 -178.79 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.621 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 98.4 Cg_endo -80.74 122.52 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.208 1.939 . . . . 0.0 111.684 179.209 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.43 155.16 51.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -179.492 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -161.84 120.76 2.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.235 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.541 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.92 141.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.972 0.415 . . . . 0.0 111.136 -179.521 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.52 147.81 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.146 -179.499 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.16 128.72 8.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.876 179.568 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -101.92 -173.14 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.324 -179.702 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.493 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 11.6 mmmm 56.73 19.44 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.421 ' HA ' HH21 ' A' ' 136' ' ' ARG . 70.6 m -58.35 -16.31 14.03 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.327 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.28 -0.52 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 179.524 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' A' ' 135' ' ' ARG . 46.7 mt -121.22 69.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -64.64 -33.44 75.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.444 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.9 pt-20 -70.82 -17.06 62.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.2 mtt180 -106.4 -4.82 19.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.458 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -63.29 108.37 1.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.747 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -96.91 -21.6 17.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.374 -179.324 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 79.9 t -101.83 98.52 9.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 9.3 Cg_endo -52.54 153.17 14.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.358 2.039 . . . . 0.0 112.044 179.682 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 90.2 t -62.37 -54.25 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.477 -179.497 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.32 -44.18 71.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.791 -179.041 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -66.9 -35.66 80.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.903 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 138' ' ' VAL . . . -73.97 -30.57 62.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.7 mtt180 -78.26 -35.12 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -51.34 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.74 97.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.716 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.34 -36.97 77.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.48 -179.694 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.83 -32.5 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.806 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -51.4 -42.21 61.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -69.41 -27.15 65.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 179.618 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.02 32.91 2.71 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.816 179.613 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.1 170.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.07 0.462 . . . . 0.0 112.111 -179.715 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.47 135.05 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.663 178.888 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.541 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.8 t80 -98.61 143.29 29.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.185 0.517 . . . . 0.0 111.951 -179.055 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.02 152.07 20.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -89.51 143.78 26.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.5 p -150.64 153.41 35.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.989 0.423 . . . . 0.0 111.668 -179.427 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.0 m -124.0 109.82 14.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.46 -3.48 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.32 -179.818 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -93.84 -47.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -89.93 -3.87 57.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.501 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.4 ppt_? 36.45 36.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.048 179.864 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.13 -52.7 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.694 -179.469 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -111.65 16.32 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -179.346 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 166' ' ' ASP . 8.0 p -66.64 -43.25 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.946 179.79 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.0 -15.19 61.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.307 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -61.57 -45.78 92.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.373 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.32 -26.69 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.602 -179.333 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -69.04 -46.37 68.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.183 179.412 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.02 -30.55 65.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.34 -50.98 61.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.69 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.536 HD22 ' HG ' ' A' ' 90' ' ' LEU . 31.2 tp -63.71 -33.75 76.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.36 -44.06 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.118 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -70.05 -34.75 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.681 179.358 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.89 -44.75 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.453 -179.706 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 67.6 mt -72.71 -54.8 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.713 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -56.98 -30.38 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.929 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 75.6 m -87.94 -60.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -179.431 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 78.8 tttt -72.24 -55.12 7.74 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.36 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -57.23 -58.53 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.637 0.256 . . . . 0.0 111.668 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.9 mmt -57.63 -18.28 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.775 -179.302 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 36.8 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 110.967 -179.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.49 158.59 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.431 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.8 tp -130.02 109.13 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -103.91 133.05 49.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.9 mttm -116.22 103.98 11.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.56 129.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.188 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -95.94 108.86 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.831 179.816 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.618 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.8 tpt -66.95 97.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.703 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.4 p -113.45 160.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 161.34 84.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.732 -179.805 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 104' ' ' THR . 28.3 t 61.1 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.887 0.375 . . . . 0.0 111.221 179.51 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.36 -36.45 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.69 58.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.268 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.488 HG22 ' OG ' ' A' ' 100' ' ' SER . 53.7 t -106.93 -55.12 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.33 36.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.056 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.69 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -50.59 -38.3 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.367 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 p -68.44 -30.39 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.33 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.99 -179.081 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.51 -25.49 68.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.064 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 22.1 m -74.2 -37.89 63.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.968 -179.353 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 99.4 mt -70.91 -49.0 50.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.474 -179.237 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -55.86 -41.24 74.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.377 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 tpp -81.52 -49.86 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.167 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -127.41 -10.47 5.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.561 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.05 73.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -169.82 134.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.597 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -91.39 105.88 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.112 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.1 t -138.86 149.62 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.879 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -90.43 97.57 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.746 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -170.84 143.2 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -157.43 168.1 28.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.74 144.22 28.98 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 147.61 76.43 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.358 2.039 . . . . 0.0 112.295 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 68' ' ' ASP . 43.8 m -102.27 107.27 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -106.73 -56.0 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.44 -1.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.89 138.2 40.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.635 179.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -129.75 148.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -179.751 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 70.2 m-85 -92.43 132.37 36.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.258 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -134.85 135.44 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.118 0.485 . . . . 0.0 111.551 -179.655 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.25 172.25 18.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.029 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -128.55 143.2 50.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.499 . . . . 0.0 111.954 -179.62 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.5 m -145.55 137.2 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.41 179.635 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.96 129.67 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.6 tp -137.06 120.17 16.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 55.87 30.67 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.69 56.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.708 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -146.04 113.82 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.17 122.36 26.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.28 177.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -119.01 123.0 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.31 142.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.7 t70 -134.74 116.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -179.663 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -99.76 131.16 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.336 179.514 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.5 tm? -142.06 139.78 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.439 -178.677 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.613 ' N ' HD13 ' A' ' 67' ' ' LEU . 28.2 t70 80.35 105.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.547 179.441 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -143.89 167.24 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.324 179.574 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.562 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . 61.92 172.02 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.554 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.972 179.487 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.816 0.341 . . . . 0.0 111.312 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -60.56 -46.06 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.263 -179.711 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.94 -34.07 58.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.28 -46.76 88.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.788 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -65.07 -44.7 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.627 -179.503 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -17.05 63.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -84.09 -17.99 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.2 m -102.86 11.39 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.474 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -120.18 175.14 15.85 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.518 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -115.9 -60.94 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.556 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.58 166.54 27.96 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.54 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -137.89 132.76 32.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.739 0.304 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 168' ' ' VAL . 1.2 tt -123.48 97.01 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.817 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.668 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.22 128.96 34.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.657 -179.619 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.81 138.52 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 111.831 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.508 ' HB3' HG21 ' A' ' 104' ' ' THR . 30.5 p90 -144.91 146.84 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.445 178.866 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.7 m -90.59 135.02 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.156 -179.683 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 34.5 pt -64.38 -29.75 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.679 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.472 HG21 HD12 ' A' ' 132' ' ' LEU . 35.4 p -73.08 -31.14 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.619 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.02 98.3 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.635 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.35 -21.76 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.036 -179.811 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 25' ' ' VAL . 31.5 m -67.63 -54.73 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.539 -178.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.53 -36.07 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.569 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.0 p -71.7 -53.39 13.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.01 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.46 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.034 -179.854 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.668 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.0 p -56.96 -35.97 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.636 179.477 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.077 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.27 -47.93 63.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.696 179.81 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.414 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.5 m-85 -58.9 -24.61 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.774 179.626 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -52.52 -48.3 66.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.76 -36.3 73.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.634 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.452 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -61.26 -34.11 74.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -62.58 -42.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.468 -179.696 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.22 -26.67 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.6 mmt180 -52.5 -51.19 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.875 -179.169 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.7 m -66.56 -40.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.655 -179.43 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -96.96 32.22 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.36 -18.19 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.04 -32.03 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.26 137.61 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.05 -60.57 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.01 120.18 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.5 mm -123.16 104.23 35.34 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.625 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 33.6 Cg_endo -64.8 104.42 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.354 2.036 . . . . 0.0 111.719 179.361 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -133.38 154.39 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 111.272 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -160.61 123.78 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.54 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 147' ' ' ALA . 7.3 p -102.26 143.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 111.5 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 168' ' ' VAL . 12.0 t -140.2 152.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.82 133.52 11.66 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.231 179.859 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -104.54 175.61 5.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HG3' HD12 ' A' ' 132' ' ' LEU . 0.1 OUTLIER 54.69 26.28 7.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.842 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -69.21 -1.99 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.583 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.97 19.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.545 HD13 ' HD3' ' A' ' 135' ' ' ARG . 55.3 mt -139.17 87.78 2.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.63 -34.98 67.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.451 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.5 pt-20 -78.22 -40.81 36.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.7 mtp180 -81.76 7.44 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 39.9 ttm180 -69.34 116.76 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.82 -33.99 19.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.419 179.704 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 83.6 t -114.15 114.66 45.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.752 179.572 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 78.2 Cg_exo -50.64 125.0 14.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.17 1.913 . . . . 0.0 111.789 179.652 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -49.45 -40.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.792 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.14 -41.34 88.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 98.0 mtt180 -66.28 -41.19 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -65.73 -47.95 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.772 -179.266 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -47.41 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.216 -179.419 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.16 -37.06 86.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.392 -179.611 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.97 -32.1 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.01 -48.32 64.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.749 179.641 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -58.88 -27.61 65.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.98 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.06 20.05 8.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.132 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -121.13 164.18 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 111.67 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -103.26 128.17 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.726 178.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.5 t80 -96.52 124.18 40.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 0.0 111.415 -179.212 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.31 155.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.324 -179.608 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.66 147.25 23.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -179.713 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.7 p -149.83 173.26 13.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.98 179.764 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.426 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 67.9 m -139.72 110.97 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.9 -3.68 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.646 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -99.48 -46.54 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 30.3 p -85.25 -9.65 57.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? 35.01 39.98 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.67 0.606 . . . . 0.0 112.022 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.48 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.788 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -111.78 16.27 20.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.532 -179.455 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -63.32 -39.26 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 179.74 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.31 -23.98 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 179.55 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.37 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.799 -179.303 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 126' ' ' VAL . 3.0 m -73.15 -32.26 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 111.298 -179.201 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -74.38 -41.6 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.654 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -72.04 -35.57 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.398 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.455 ' HA ' HH21 ' A' ' 174' ' ' ARG . 10.8 t70 -64.71 -44.76 89.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 110.706 -179.724 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 124' ' ' LEU . 62.3 tp -72.84 -33.83 66.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . 0.438 ' HA ' HD12 ' A' ' 176' ' ' ILE . 47.7 ttm -56.51 -44.12 80.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.455 HH21 ' HA ' ' A' ' 171' ' ' ASP . 81.8 mtm180 -66.46 -34.89 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.22 -33.39 73.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 40.8 mt -70.6 -45.06 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.519 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.2 ptm180 -74.88 -33.13 62.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.1 m -89.28 -59.71 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.119 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.3 -54.48 12.45 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.378 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.625 ' HD2' ' HG3' ' A' ' 122' ' ' PRO . 61.5 tttm -62.4 -33.69 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.504 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 40.0 mtt -81.59 -12.62 58.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.498 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.683 0.278 . . . . 0.0 110.759 -179.916 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.78 0.324 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.45 137.44 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 tp -111.77 102.55 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -104.98 136.66 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.0 122.13 45.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.84 133.73 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.732 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.1 mm -112.57 130.11 66.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.753 0.311 . . . . 0.0 111.401 -179.792 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 95.8 mmm -78.85 90.57 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.253 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.2 p -94.8 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 179.799 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.68 -162.81 28.42 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -60.64 -51.39 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.787 180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.65 31.3 0.24 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.255 -179.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.75 57.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.55 -179.834 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.61 -16.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.061 179.783 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.04 43.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.413 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.6 mttt -56.36 -30.54 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 31' ' ' THR . 76.1 p -75.23 -28.98 60.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -52.07 67.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.037 -178.768 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -61.24 -25.35 67.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.339 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.2 m -72.67 -42.21 64.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.636 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.28 -30.09 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.28 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.2 mm100 -76.56 -38.02 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -72.76 -41.78 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.755 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 35' ' ' MET . 71.4 mtp -81.75 -49.55 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.071 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -103.42 -20.34 14.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.8 t70 58.88 43.04 18.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.178 0.513 . . . . 0.0 110.053 -179.472 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.5 127.72 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.07 106.02 12.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.621 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.79 141.41 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.24 101.64 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.711 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -141.61 136.72 31.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.949 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -140.86 142.04 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.8 pt-20 -148.35 148.02 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.4 Cg_exo -60.1 145.35 98.64 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.565 2.177 . . . . 0.0 112.002 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -131.23 100.5 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -85.27 -58.46 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.949 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.08 4.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.99 130.96 36.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 p -113.19 171.82 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -103.46 149.77 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.863 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -141.4 131.54 24.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG22 ' A' ' 64' ' ' ILE . 20.0 ptmt -157.36 151.92 25.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.126 179.906 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 30.9 mmtm -105.03 135.61 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.183 -179.572 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.7 147.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.89 140.02 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.7 tp -141.79 103.36 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 55.73 31.26 17.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.739 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.3 -29.32 11.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.411 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -95.38 120.92 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -92.28 121.03 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.46 152.2 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.609 ' HG2' ' HD2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -81.05 130.31 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.8 tt -116.77 145.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.651 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -133.01 127.29 33.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.06 142.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -135.42 119.27 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.14 150.29 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.9 m -142.08 -74.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.83 -171.07 1.28 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.936 179.449 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 56.1 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.821 0.343 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 80' ' ' ASP . 33.5 ptt180 -64.54 -42.17 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 179.702 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 9.8 m-20 -61.25 -30.81 70.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.431 . . . . 0.0 110.279 179.552 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.0 m-20 -53.05 -34.69 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -74.43 -47.79 31.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.539 -179.515 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.1 m-85 -63.35 -26.02 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -82.31 -10.86 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.111 -179.581 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.6 m -90.17 4.9 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.46 159.03 21.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.78 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -111.75 169.63 13.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.278 179.76 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.466 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 65.5 m-85 -133.85 146.5 50.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 111.187 -179.779 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 168' ' ' VAL . 0.8 OUTLIER -131.07 101.68 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.663 179.775 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' HB ' ' A' ' 104' ' ' THR . 12.1 tp -82.25 131.77 35.23 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.713 0.292 . . . . 0.0 110.753 -179.537 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.5 t -138.1 136.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.5 p90 -140.13 147.88 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.23 178.564 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -88.78 129.99 35.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.185 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.479 HD13 ' HE ' ' A' ' 136' ' ' ARG . 3.2 pt -65.89 -30.12 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.098 179.414 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 129' ' ' LYS . 62.9 p -68.96 -17.14 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.477 179.342 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -124.69 98.12 5.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.736 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.78 -16.19 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.18 -25.78 60.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -68.54 -52.37 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.57 -36.04 55.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.768 -179.787 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.8 p -72.15 -53.67 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.835 -178.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.13 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.901 0.382 . . . . 0.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.8 p -54.38 -33.26 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.738 179.271 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -68.47 -32.35 72.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.49 -38.18 86.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -58.21 -23.29 55.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.714 179.922 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.518 ' NH1' ' HB3' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -47.26 -49.53 23.31 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.6 mt-10 -68.12 -40.56 82.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 179.719 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.32 -26.76 65.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.4 ' CG2' HG21 ' A' ' 121' ' ' ILE . 80.8 mt -70.45 -43.98 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.8 mmp_? -56.66 -50.51 71.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.6 m -70.06 -11.61 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.233 -179.877 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.458 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.9 mmtt -126.78 67.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 179.776 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.41 -20.33 37.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.11 -55.69 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 180' ' ' LYS . 9.4 tp10 -67.73 133.75 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.1 -14.38 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 13.3 mptt -109.07 96.47 6.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.809 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 111' ' ' ILE . 4.1 mp -108.07 105.27 56.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.659 179.469 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.2 Cg_endo -62.87 130.79 30.48 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.383 2.055 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -139.31 161.38 37.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 50.0 tp -162.55 124.02 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 179.437 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -98.68 141.91 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.047 0.451 . . . . 0.0 111.756 -179.276 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 168' ' ' VAL . 7.4 t -143.32 157.15 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.617 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.9 5.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.317 179.935 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -94.37 -171.81 2.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.506 ' HE2' HG21 ' A' ' 96' ' ' THR . 11.2 mmmm 60.08 15.46 5.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -61.13 -13.34 16.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.15 -3.13 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.707 179.851 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 135' ' ' ARG . 44.5 mt -120.4 85.87 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.85 -27.94 63.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.62 -34.23 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -89.82 -2.28 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.803 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.479 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.3 ttm180 -67.8 108.23 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.16 179.535 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.413 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 29.5 mm-40 -87.58 -27.79 22.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.549 -179.186 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.4 t -96.75 106.97 33.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.248 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 36.7 Cg_exo -58.08 125.04 17.35 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.078 1.852 . . . . 0.0 111.218 179.091 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.561 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -46.21 -43.25 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.545 -179.408 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.77 -48.92 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.167 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.6 -36.83 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.39 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.9 mtt180 -65.82 -44.01 86.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.57 -179.564 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.9 t -59.98 -53.45 57.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -46.59 88.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 -179.717 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.29 -47.96 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.472 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.67 -31.65 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.521 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.9 -48.41 70.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.679 0.276 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.518 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 8.4 m0 -69.18 -7.75 39.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 179.768 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.89 27.36 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.003 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.65 168.1 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 0.0 111.377 -179.606 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -113.91 131.38 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.746 178.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.1 t80 -94.58 137.47 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 111.015 -179.527 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.51 152.62 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.714 -179.444 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.86 137.25 32.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.381 179.611 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 164' ' ' ASN . 64.6 p -146.78 157.31 43.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.086 0.47 . . . . 0.0 112.034 -179.334 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 m -129.11 110.93 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.43 179.371 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.65 -5.3 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.589 -179.937 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -94.5 -37.06 11.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.8 p -95.53 -6.19 41.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.38 -179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.426 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 35.42 38.47 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.572 0.545 . . . . 0.0 111.626 -179.81 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.65 5.2 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.518 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.7 p -56.49 -39.05 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.82 -34.94 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.948 179.543 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -56.49 -30.66 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.949 -179.083 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 126' ' ' VAL . 2.8 m -73.05 -31.66 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 111.391 -179.375 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.56 -41.45 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -71.92 -40.82 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.045 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.07 -45.4 90.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.8 ttm -57.5 -41.01 79.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.133 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.55 -32.24 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.589 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.6 mt -72.5 -32.81 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -75.54 -42.3 52.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.569 -179.831 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.0 m -87.11 -59.33 2.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -178.324 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.44 -54.97 10.17 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.276 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.5 tptm -58.42 -37.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.85 -15.42 54.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.7 0.286 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.937 -179.985 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.85 164.11 14.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.3 tp -135.98 110.28 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.6 129.96 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.2 mttm -107.43 123.17 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.265 -179.653 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.8 130.79 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.6 112.13 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.477 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.564 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 5.6 mmt -62.26 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.495 179.363 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.7 p -99.39 157.99 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.719 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -178.23 -162.32 27.81 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.651 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.2 p -64.57 -33.09 75.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.732 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.3 21.79 4.32 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.258 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.12 69.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 93' ' ' PHE . 78.5 t -127.76 -77.51 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.658 0.266 . . . . 0.0 111.162 -179.728 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.23 39.6 0.02 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.639 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 7.2 ptpp? -69.46 -35.56 75.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 31' ' ' THR . 97.6 p -57.58 -30.75 65.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.296 179.858 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.37 -54.11 23.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.091 -178.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.5 mm? -60.1 -24.76 64.9 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.645 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 28' ' ' SER . 65.3 m -64.56 -47.32 79.18 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 179.73 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.89 -36.87 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.368 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.5 mm100 -56.43 -36.64 69.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -72.77 -25.13 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 179.86 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.67 -49.7 10.17 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.299 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.67 -6.87 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.0 m-20 58.15 38.88 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.067 0.46 . . . . 0.0 110.527 -179.688 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' HE22 ' A' ' 33' ' ' GLN . 44.1 tt0 -149.86 135.31 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.548 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' H ' HH11 ' A' ' 162' ' ' ARG . 60.3 t80 -85.43 118.98 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.444 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.6 t -132.04 142.48 42.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.25 -38.77 92.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.3 m-20 -57.4 121.38 10.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -109.0 166.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 45.2 mt-10 -134.21 102.76 11.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_endo -64.95 157.99 53.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.268 179.951 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 68' ' ' ASP . 87.4 m -95.11 138.38 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.3 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -142.99 -44.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.89 -19.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.17 132.28 38.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -110.97 164.12 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 54.9 m-85 -104.06 145.58 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.654 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -147.91 146.38 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -165.85 142.54 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.497 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.38 121.96 28.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.6 m -137.54 143.41 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.875 179.596 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.628 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -90.24 139.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.016 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD23 HH11 ' A' ' 177' ' ' ARG . 55.3 tp -143.87 120.79 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 56.88 30.99 18.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.02 -31.7 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.84 123.27 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.8 tt0 -80.7 112.55 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.139 -179.699 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.39 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -87.6 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.723 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.59 142.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 23.3 t70 -123.55 118.22 26.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.974 -179.837 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.11 120.3 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -132.73 138.05 47.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.59 ' N ' HD13 ' A' ' 67' ' ' LEU . 18.2 t70 65.17 98.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 75.3 p -132.14 37.32 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -179.695 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.36 162.26 41.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.391 179.865 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.8 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.46 ' NH2' HE22 ' A' ' 110' ' ' GLN . 23.9 ptt180 -69.67 -35.83 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.439 179.779 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 11.3 m-20 -69.45 -31.09 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -50.46 -34.82 26.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.158 179.657 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -60.15 -42.43 94.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.0 m-85 -63.23 -39.22 93.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' HB2' ' HB ' ' A' ' 114' ' ' VAL . 36.7 ttm180 -68.94 -15.94 63.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -81.28 -18.52 45.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.396 -179.558 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.76 157.3 15.48 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.776 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 10.8 mm-40 -96.81 -13.48 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 110.651 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -127.69 158.34 21.27 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.097 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 34.7 m-85 -135.46 131.97 36.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -122.02 106.82 11.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.784 179.758 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -82.76 118.84 23.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.528 HG22 HD22 ' A' ' 90' ' ' LEU . 3.3 t -126.5 131.03 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.707 -178.855 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.5 p90 -139.93 -176.81 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.715 179.019 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.417 ' OG ' ' HG3' ' A' ' 129' ' ' LYS . 15.6 t -124.02 141.57 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 136' ' ' ARG . 18.5 pt -71.52 -34.4 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.938 179.726 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.408 ' N ' HG13 ' A' ' 95' ' ' ILE . 58.7 p -65.9 -27.88 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -108.38 98.7 8.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.2 -17.74 62.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.32 -26.97 60.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.003 0.43 . . . . 0.0 110.909 -179.499 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -68.38 -54.05 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.445 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.71 -39.96 71.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.735 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.71 -53.78 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.319 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.82 -35.87 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.139 -179.455 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.621 ' HB ' HD11 ' A' ' 91' ' ' LEU . 6.9 p -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.375 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.47 76.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.15 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.752 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 35.1 m-85 -62.14 -26.72 68.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.68 -179.832 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.4 tmt_? -51.33 -48.74 62.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.74 -29.08 65.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.46 HE22 ' NH2' ' A' ' 79' ' ' ARG . 85.8 mt-30 -70.84 -26.68 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.457 -179.579 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.5 mt -67.18 -41.78 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.297 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.94 -27.31 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.419 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.4 mmp_? -62.88 -50.18 71.91 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 84' ' ' ARG . 4.3 m -70.23 -11.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -124.88 37.62 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.48 -15.69 58.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.39 -179.969 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.7 -26.11 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.22 144.47 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.69 -52.93 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.22 118.19 20.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 50.8 mm -122.02 106.17 36.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.6 Cg_endo -66.6 117.88 5.09 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.884 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.582 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 15.9 tp -129.27 160.96 31.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.582 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 20.8 tp -163.36 113.52 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 179.26 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.67 HG22 ' HD1' ' A' ' 154' ' ' TYR . 1.4 p -88.61 139.71 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.354 -179.439 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.32 153.93 29.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.187 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.72 110.71 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.98 -167.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 95' ' ' ILE . 68.6 mmtt 58.55 15.57 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.344 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.469 ' HA ' HH21 ' A' ' 136' ' ' ARG . 66.9 m -59.61 -17.84 36.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.122 -179.679 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.56 -13.12 18.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 110.399 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.4 mt -113.23 76.25 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.79 -25.53 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.198 -179.538 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -84.76 -12.92 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.103 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 65.2 mtp180 -109.0 2.47 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.899 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.469 HH21 ' HA ' ' A' ' 130' ' ' SER . 40.7 ttm105 -66.86 109.94 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.997 -179.789 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -82.05 -27.99 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.107 -179.833 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.18 109.95 54.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.73 147.26 72.78 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.264 1.976 . . . . 0.0 111.765 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 95.1 t -58.67 -54.94 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.506 -179.703 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.89 -33.57 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -179.111 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.18 -45.41 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.12 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.6 mtt180 -71.49 -51.61 22.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -62.9 -29.34 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.243 179.612 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -64.53 -48.9 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.225 179.548 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -52.48 -50.87 61.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.399 -179.112 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.13 -31.61 20.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.762 -179.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 146' ' ' LYS . 46.7 mt-10 -52.37 -48.97 65.28 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.284 179.621 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . 0.451 ' CZ3' ' HE3' ' A' ' 146' ' ' LYS . 12.6 m0 -83.97 5.56 25.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.91 20.54 61.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.599 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.444 HG23 ' HB1' ' A' ' 147' ' ' ALA . 21.8 m -121.26 -179.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.171 0.51 . . . . 0.0 111.627 -179.895 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -125.04 134.71 52.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.628 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.67 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.6 t80 -95.66 143.25 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 0.0 111.794 -179.411 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.34 148.49 29.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.51 141.41 28.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.4 p -144.23 153.11 41.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.905 -179.158 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.8 m -125.85 108.74 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.379 179.402 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -19.77 64.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.49 -31.32 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 48.4 p -95.98 -23.17 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.876 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.636 HH11 ' H ' ' A' ' 39' ' ' PHE . 13.8 mtm180 54.67 32.12 16.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.46 -55.3 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.49 30.72 2.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.1 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 168' ' ' VAL . 47.0 t -68.95 -47.8 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.514 178.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -72.03 -14.97 62.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.8 -31.3 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.524 -179.697 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.3 m -85.91 -34.44 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.312 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -74.83 -44.48 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.417 -179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.14 -52.31 24.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.688 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.76 -42.75 68.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.915 -179.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -73.0 -35.35 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.69 -39.52 94.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.95 -34.88 79.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.8 mm-40 -64.87 -45.36 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.637 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 51.4 mt -58.09 -32.54 44.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.508 HH11 HD23 ' A' ' 57' ' ' LEU . 73.7 mtp180 -75.53 -52.66 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.818 -179.825 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.1 m -86.87 -59.37 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.417 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.8 tttp -58.13 -54.11 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 61.4 tttp -65.53 -57.71 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.354 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.7 mmt -60.8 -12.78 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.028 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 178' ' ' THR . 39.9 t . . . . . 0 N--CA 1.463 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.763 0.316 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.44 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.66 116.28 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -108.01 105.53 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -88.34 116.37 26.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.219 -179.435 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.08 135.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.576 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.36 114.41 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.404 -179.496 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -63.34 95.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.452 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -100.87 160.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 169.02 -157.41 29.43 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.807 -179.704 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' HG22 ' A' ' 104' ' ' THR . 31.0 t -61.83 -53.72 51.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.706 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.32 -36.65 0.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.153 -179.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.76 79.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.099 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.3 t -121.24 -60.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.9 27.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.103 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.4 mtmt -53.96 -47.21 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -66.39 -31.07 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.453 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.41 -52.83 50.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.763 -179.18 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -25.11 67.04 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.341 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 28' ' ' SER . 99.5 m -68.3 -44.2 75.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.021 179.713 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.23 -37.44 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.2 mm100 -58.95 -37.98 77.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -72.64 -25.12 61.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.772 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 tpp -80.57 -48.62 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -178.645 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.81 -5.95 19.4 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.412 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 57.06 29.66 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.937 0.399 . . . . 0.0 110.342 -179.515 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -154.2 153.1 31.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.777 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 64.5 t80 -87.11 105.6 17.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.631 179.843 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 142.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.646 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.31 142.76 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -155.48 -54.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.9 t80 62.26 108.49 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.61 98.52 5.35 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.18 124.18 15.66 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.534 2.156 . . . . 0.0 112.535 -179.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -72.03 143.72 49.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -142.09 -46.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.92 3.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.52 136.21 33.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -116.46 159.99 21.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -116.45 135.01 54.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.88 160.33 34.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.317 -179.864 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -166.13 162.98 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.18 128.43 56.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.94 0.4 . . . . 0.0 111.467 -179.598 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.29 170.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.675 179.661 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.8 t -115.22 144.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.212 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -140.72 97.85 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.19 31.3 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.65 59.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.931 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' HH12 ' A' ' 177' ' ' ARG . 9.4 tp10 -117.83 118.91 33.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -93.0 120.07 32.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.337 -179.415 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -143.05 148.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -98.69 138.97 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -105.62 123.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 179.775 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -102.89 113.71 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 -179.788 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.4 mt -98.39 122.52 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.1 tm? -138.37 137.89 37.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.658 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.579 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.8 t70 65.5 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -164.39 9.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.566 -179.554 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.49 166.48 23.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.582 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.233 179.656 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.861 0.362 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -54.85 -56.44 19.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 179.857 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -53.98 -33.59 57.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.97 -41.65 98.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.134 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.03 -47.44 65.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -59.17 -30.14 67.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.758 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.419 ' N ' HG11 ' A' ' 114' ' ' VAL . 64.1 ttt180 -78.51 -23.7 46.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -76.36 -20.77 56.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.91 -161.78 22.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -140.08 -32.98 0.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.579 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -107.14 165.59 13.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.434 -179.97 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -140.57 137.85 34.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.319 -179.749 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 172' ' ' LEU . 16.7 mt -128.02 111.02 13.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.793 178.843 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.7 OUTLIER -81.82 130.33 35.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.438 -179.775 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.03 137.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.356 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.653 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.8 p90 -160.39 149.43 17.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.036 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.43 ' OG ' HG13 ' A' ' 25' ' ' VAL . 42.2 m -95.18 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.042 0.448 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.459 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.9 pt -73.23 -34.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.767 179.435 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 132' ' ' LEU . 57.0 p -64.97 -28.08 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.02 179.774 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -107.27 95.0 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -63.11 -16.26 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.031 179.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.5 -26.85 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.241 -179.166 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 83.2 p -74.19 -48.32 29.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.51 -178.848 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.0 -42.77 49.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.115 0.483 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.1 p -72.21 -53.53 12.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.33 -179.412 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.89 73.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.611 -179.233 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.655 ' HB ' HD11 ' A' ' 91' ' ' LEU . 24.0 p -55.72 -31.51 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.23 70.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.205 -179.778 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.32 -40.63 93.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.66 179.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -64.93 -25.04 67.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -49.48 -44.44 45.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.68 -37.16 73.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.963 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 60.1 mm-40 -61.59 -29.33 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.06 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.215 -179.877 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.3 -26.39 65.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.772 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 28.7 mmm180 -50.6 -51.21 50.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.753 -179.378 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.583 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.6 m -66.14 -34.69 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.3 mmtt -104.93 54.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.233 179.312 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.22 -39.18 56.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.625 -179.559 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.47 -41.42 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 62.94 121.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.611 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.35 -61.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.811 179.483 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.558 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 46.0 mmtm -145.05 89.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.903 179.167 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.47 109.49 36.53 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.691 -178.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 122' ' ' PRO . . . . . 0.572 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 83.7 Cg_endo -81.82 135.46 8.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.398 2.065 . . . . 0.0 111.681 179.08 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.7 tp -151.05 165.82 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.262 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.474 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 28.0 tp -168.63 137.24 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.381 179.638 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 91' ' ' LEU . 2.6 t -105.48 144.14 15.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 111.569 -179.503 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.402 ' HB ' HG11 ' A' ' 168' ' ' VAL . 7.8 p -139.88 132.35 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.2 179.547 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.33 106.08 2.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.053 179.332 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.8 -175.23 5.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.644 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.421 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 56.53 16.54 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.494 -179.904 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -61.1 -17.41 52.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.229 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.99 -17.98 42.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.767 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.574 HD13 ' HD3' ' A' ' 135' ' ' ARG . 63.1 mt -105.42 82.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 179.844 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . 0.551 ' HG2' HH22 ' A' ' 136' ' ' ARG . 32.0 mt-10 -72.99 -17.74 61.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -91.26 -21.32 21.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.818 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . 0.574 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.1 mtp180 -105.74 10.36 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.755 179.913 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.551 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.2 ttm180 -73.96 117.39 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -96.52 -29.44 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.82 111.77 61.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.28 128.5 22.83 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.095 1.864 . . . . 0.0 111.254 179.216 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.6 p -51.89 -44.72 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.314 -179.542 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -56.81 -47.31 80.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.51 -27.57 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.295 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.81 60.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.1 mtt180 -69.12 -38.18 78.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.05 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.3 t -65.25 -51.43 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.118 -179.585 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.31 97.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 -179.816 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.59 78.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.377 -179.907 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.38 -32.26 73.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.251 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -53.67 -43.09 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -69.72 -17.11 63.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.57 24.38 10.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.18 171.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.486 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.31 165.66 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.482 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -133.34 138.2 46.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 155' ' ' VAL . . . . . 0.487 HG11 ' HZ1' ' A' ' 167' ' ' LYS . 61.8 t -140.69 152.56 20.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.637 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 155' ' ' VAL . 37.1 mt-10 -89.26 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.202 179.539 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.62 HG22 ' HB2' ' A' ' 164' ' ' ASN . 43.6 p -143.96 157.62 44.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.033 0.444 . . . . 0.0 111.687 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.4 m -126.53 111.13 14.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.39 -3.39 2.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -91.98 -37.88 12.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.498 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 78.9 p -96.29 -3.39 44.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.007 179.858 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 162' ' ' ARG . . . . . 0.498 ' HG3' ' C ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.42 40.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.89 -179.718 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -56.13 4.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.853 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 164' ' ' ASN . . . . . 0.62 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.0 m-20 -112.21 15.37 20.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.395 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 165' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.8 p -64.68 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.744 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -74.08 -14.82 61.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.3 179.562 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 167' ' ' LYS . . . . . 0.487 ' HZ1' HG11 ' A' ' 155' ' ' VAL . 6.1 tmmm? -67.31 -35.22 79.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.089 -178.937 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.4 m -72.51 -28.94 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.823 0.344 . . . . 0.0 111.083 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -74.85 -43.77 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.47 -50.18 47.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.772 179.568 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.32 -53.38 51.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 90' ' ' LEU . 1.5 tm? -56.45 -44.99 81.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 22.8 ttp -56.88 -43.02 80.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.477 ' HA ' ' HG2' ' A' ' 177' ' ' ARG . 70.0 mtm180 -69.95 -37.79 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.96 -34.99 79.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 176' ' ' ILE . . . . . 0.579 HD11 ' HA3' ' A' ' 88' ' ' GLY . 96.4 mt -72.67 -53.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.479 HH12 ' HB3' ' A' ' 60' ' ' GLU . 1.8 ptp180 -59.75 -30.16 68.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.396 -179.638 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 178' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 182' ' ' SER . 63.7 m -87.64 -59.65 2.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -179.456 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 54.9 tttp -70.44 -54.37 12.61 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.32 -38.64 80.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.673 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.0 mmt -81.6 -16.13 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.265 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 182' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 178' ' ' THR . 54.4 p . . . . . 0 C--N 1.331 -0.229 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.503 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.721 0.296 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.92 110.08 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.414 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' HA ' ' HB2' ' A' ' 63' ' ' GLN . 62.1 tp -84.54 101.3 11.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.746 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.28 129.56 52.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.051 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 60.9 mttp -102.78 121.97 43.53 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.219 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.49 129.2 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.264 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -105.9 122.26 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.989 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.464 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -78.6 78.15 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.786 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.5 p -84.12 157.82 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.589 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.43 -164.6 32.77 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.498 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.4 t -59.1 -56.26 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.078 0.466 . . . . 0.0 110.824 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.69 -24.59 0.64 Allowed Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.998 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.61 64.73 0.41 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.146 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG21 ' HA ' ' A' ' 93' ' ' PHE . 47.0 t -109.23 -72.32 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 0.0 111.288 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.2 39.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.104 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.732 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.99 -37.03 73.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.289 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.516 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.2 p -60.14 -29.56 68.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.01 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.7 -52.83 63.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.917 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.744 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.34 -25.57 68.36 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 178.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.2 m -65.83 -43.02 89.8 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.422 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.16 -46.77 60.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.856 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.6 mm100 -55.66 -36.06 66.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.727 0.299 . . . . 0.0 111.517 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.72 -27.08 61.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.77 0.319 . . . . 0.0 111.373 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.75 -49.75 9.41 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -117.23 -5.65 11.33 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.43 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 11.0 m-20 58.66 31.82 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' C ' HE22 ' A' ' 33' ' ' GLN . 34.4 tt0 -139.73 133.04 29.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.911 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -84.28 107.74 16.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -150.87 144.17 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.962 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -98.84 126.39 44.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.875 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -144.41 -31.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.7 t80 62.76 107.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.258 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -109.25 118.75 50.3 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.88 132.82 54.35 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.288 1.992 . . . . 0.0 111.885 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.4 m -118.84 141.3 48.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.351 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -157.57 -37.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.708 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -164.51 -17.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.783 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' H ' ' H ' ' A' ' 48' ' ' ALA . 11.6 m-20 -72.4 127.27 32.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB3' HD23 ' A' ' 67' ' ' LEU . 66.9 p -117.36 170.57 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.091 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -109.49 126.06 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.81 140.23 52.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.982 0.42 . . . . 0.0 111.368 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -159.65 169.68 23.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.47 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -114.73 133.43 55.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.948 0.404 . . . . 0.0 111.521 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.0 m -143.09 138.05 26.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.982 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.8 p -78.57 146.57 7.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.348 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -136.61 102.23 4.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.142 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 52.03 30.82 7.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.37 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.21 24.03 12.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.9 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -144.01 113.14 6.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.946 0.403 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -81.2 112.81 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 m -123.18 153.13 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.514 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . 37.2 mt-30 -83.21 148.72 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.2 tt -134.81 116.2 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.046 0.451 . . . . 0.0 111.142 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -106.11 114.19 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.454 HG21 HG23 ' A' ' 31' ' ' THR . 49.1 mt -101.4 138.35 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.9 tm? -140.85 101.21 4.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.386 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -69.82 146.45 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 72' ' ' LEU . 66.4 p -124.04 123.27 39.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.297 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.97 -163.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.233 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.08 94.23 0.04 OUTLIER Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.936 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.526 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 75.7 mt -81.8 3.59 25.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.569 0.223 . . . . 0.0 111.339 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.59 12.68 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -102.32 -54.93 2.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.148 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -62.48 152.85 33.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.51 -53.49 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.11 -6.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.018 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.79 -23.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 38.4 ptt180 -67.29 -37.17 82.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.188 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -55.86 -31.27 62.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -55.25 -43.89 75.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.222 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -59.8 -30.54 68.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.599 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -84.38 -32.29 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 111.053 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -80.79 -8.78 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.649 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.6 p -94.59 2.8 55.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.9 160.04 23.94 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -92.57 -52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.84 0.353 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.476 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.54 161.31 26.07 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.643 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -134.64 140.34 45.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.303 . . . . 0.0 110.755 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tt -126.93 103.71 7.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.721 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.606 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -83.29 96.82 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.754 HG23 HG13 ' A' ' 126' ' ' VAL . 13.0 p -107.8 131.76 57.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.6 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.64 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -136.33 -173.6 3.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.031 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.4 t -121.43 144.92 48.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.373 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 40.5 pt -78.46 -33.83 17.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.949 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 72.7 p -68.9 -19.69 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -116.72 97.81 6.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -63.11 -16.32 59.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.02 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.39 -26.6 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.081 0.467 . . . . 0.0 110.558 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 20.2 m -67.76 -53.99 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.293 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -55.42 -35.93 65.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.763 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 62.6 p -72.21 -54.08 10.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.093 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.79 -36.9 84.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.64 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.5 p -58.66 -31.73 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.458 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.18 79.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.506 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -64.49 -47.06 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.694 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.67 -29.69 69.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.104 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -51.06 -45.37 61.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.91 -30.16 66.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' HD2' ' A' ' 113' ' ' ARG . 76.3 mt-30 -68.61 -25.12 64.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.365 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.28 -44.95 99.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.427 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.3 -27.04 66.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.804 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 110' ' ' GLN . 99.6 mtt180 -61.44 -48.64 80.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.519 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.3 m -72.54 -12.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.039 -179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -125.98 42.77 3.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.74 -27.3 68.81 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.368 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -78.54 -31.45 47.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -78.95 163.67 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.14 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -111.08 -66.8 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -79.26 107.63 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -104.18 104.96 46.91 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.27 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.476 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.3 Cg_endo -67.43 132.46 27.42 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.455 2.103 . . . . 0.0 111.907 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.0 tp -148.94 155.65 41.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.8 tp -153.75 127.65 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.585 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.9 p -103.76 142.55 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.017 0.437 . . . . 0.0 111.396 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.754 HG13 HG23 ' A' ' 92' ' ' VAL . 13.8 p -151.74 152.97 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.825 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.8 119.74 3.26 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.97 -162.23 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' O ' HD11 ' A' ' 95' ' ' ILE . 72.7 mmtt 58.46 12.23 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.635 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.42 ' HA ' HH21 ' A' ' 136' ' ' ARG . 51.0 m -61.25 -12.16 12.17 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.752 0.31 . . . . 0.0 111.112 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.38 -4.38 18.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.287 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.96 78.33 1.27 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 38.7 mt-10 -72.54 -15.9 61.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.01 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.44 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -93.2 -14.67 26.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.355 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.6 mtt180 -113.94 17.01 18.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.172 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.3 ttm105 -82.4 113.3 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -88.69 -31.01 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.802 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 68.4 t -98.79 109.41 53.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.191 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -58.13 136.11 72.75 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.179 1.92 . . . . 0.0 111.483 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -54.46 -44.99 69.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.395 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.1 mt-10 -61.4 -43.09 99.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.217 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.99 -29.89 71.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.0 55.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.509 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.8 mtt180 -71.4 -40.89 70.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.08 -52.92 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.669 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -47.26 87.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.377 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.42 -32.75 74.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.766 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -56.4 -32.38 64.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.712 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -53.17 -39.33 63.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -69.4 -27.47 65.32 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.687 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.79 30.66 3.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.738 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.03 170.8 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 0.0 111.572 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -112.55 131.07 55.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.996 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.585 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.6 t80 -95.54 143.16 27.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.196 0.522 . . . . 0.0 111.88 -179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.23 153.66 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.194 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -93.39 145.08 24.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.4 p -148.36 159.54 43.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.044 0.45 . . . . 0.0 111.764 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.4 m -130.76 108.67 10.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.424 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.08 -3.73 8.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.377 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -95.37 -32.32 12.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.531 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 39.8 p -94.21 -18.23 21.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 50.64 29.4 4.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.803 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.54 4.38 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -112.09 19.2 18.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' ' 33' ' ' GLN . 5.7 p -66.95 -41.89 88.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.41 -15.03 61.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.498 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -60.04 -42.33 94.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.877 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.8 m -71.28 -26.73 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.799 0.333 . . . . 0.0 111.658 -178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.422 ' O ' ' HG3' ' A' ' 173' ' ' MET . 69.2 m-85 -74.8 -48.07 27.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.53 -47.62 54.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.625 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -57.54 -38.62 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.454 -179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 42.2 tp -58.7 -52.46 65.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.269 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 67.1 mtm -55.78 -46.13 78.02 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -57.62 -35.81 70.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.903 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -68.98 -31.03 69.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 78.3 mt -72.71 -54.52 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.38 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 181' ' ' MET . 50.5 mtm180 -54.82 -33.04 61.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 85.1 m -87.3 -59.57 2.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -70.83 -54.39 11.75 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -57.84 -47.94 81.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -71.78 -12.46 61.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.401 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.3 t -70.49 -59.13 3.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.719 0.295 . . . . 0.0 110.803 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 58.09 18.77 5.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -126.12 -70.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.523 179.817 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.418 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.64 159.48 13.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.4 tp -134.56 108.74 8.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.014 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -111.09 150.39 29.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.2 mttm -125.43 112.6 16.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.106 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.74 131.55 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mm -110.46 113.7 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.62 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 84.6 mmm -67.95 98.09 0.72 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.756 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.5 p -110.93 157.97 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.482 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 167.14 92.04 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.003 -179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 104' ' ' THR . 28.8 t 61.6 -85.33 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.766 0.317 . . . . 0.0 111.57 179.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 154.37 66.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.012 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.99 27.3 0.72 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.1 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -91.53 -30.09 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.23 41.09 0.48 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.254 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.42 -27.43 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.096 0.474 . . . . 0.0 110.759 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.499 ' O ' ' HB ' ' A' ' 31' ' ' THR . 78.9 p -74.09 -29.5 61.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.628 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.09 -52.56 64.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.879 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -59.56 -24.83 64.06 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 178.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.5 m -72.59 -43.54 63.22 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.546 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.63 -33.67 71.26 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.364 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.544 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.3 mm100 -72.65 -36.17 67.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.969 0.414 . . . . 0.0 111.098 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -73.28 -46.55 49.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.508 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.439 ' HB3' ' HE2' ' A' ' 35' ' ' MET . 63.7 mtp -82.51 -50.0 9.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -95.49 -24.64 16.56 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.2 m-20 59.4 41.33 19.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.537 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -141.23 133.55 28.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.783 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -98.9 112.86 24.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.634 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.0 t -133.5 148.5 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.666 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.94 -30.7 71.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.634 ' H ' HG12 ' A' ' 40' ' ' VAL . 19.0 t70 -64.56 155.81 31.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -133.95 155.25 50.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -120.04 99.19 48.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.91 156.67 14.83 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.516 2.144 . . . . 0.0 112.296 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.602 HG22 ' H ' ' A' ' 48' ' ' ALA . 30.4 m -71.54 116.76 12.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -94.17 28.48 2.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.602 ' H ' HG22 ' A' ' 46' ' ' THR . . . 61.99 20.2 11.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.228 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -122.28 135.61 54.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.0 t -92.02 176.23 6.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -119.34 152.54 36.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -143.96 131.92 21.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -150.02 150.22 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.791 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -98.66 118.16 34.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.302 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.2 m -136.4 139.32 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.747 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.3 p -77.61 138.28 20.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.583 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD23 HH11 ' A' ' 177' ' ' ARG . 54.6 tp -135.51 112.1 10.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.727 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 57.2 30.85 19.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.12 -33.38 5.82 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.828 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.21 119.71 35.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.762 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.1 tt0 -79.4 137.11 37.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.2 m -140.15 150.3 21.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.875 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -88.28 130.71 35.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.452 HD12 ' HE2' ' A' ' 173' ' ' MET . 14.5 tt -108.42 138.8 33.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.489 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.2 t70 -117.45 113.37 21.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.536 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.57 134.75 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -141.8 107.52 5.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.377 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.64 145.91 38.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.003 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.9 p -129.37 116.82 19.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 172.11 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.989 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.53 102.36 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.79 34.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.598 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -57.16 -26.85 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' CG ' ' H ' ' A' ' 75' ' ' TYR . 6.3 t70 -84.11 -163.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.404 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 63.8 m-85 65.16 170.24 0.2 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.846 0.355 . . . . 0.0 111.217 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.88 -54.4 6.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.704 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.68 26.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.407 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 41.0 mt -57.23 -17.17 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.195 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.6 mtm180 -51.89 -41.31 61.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -54.66 -32.33 59.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -61.36 -47.91 83.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -63.42 -28.53 70.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.273 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -84.99 -16.75 39.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.382 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -81.48 -21.7 38.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.3 t -95.89 1.56 53.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.09 120.31 4.85 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.569 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -66.96 -49.56 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.714 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.618 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -104.28 164.26 14.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.269 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -135.44 146.67 48.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.62 102.87 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.633 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.733 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.807 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 HG12 ' A' ' 126' ' ' VAL . 40.5 t -139.57 122.49 17.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.539 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.4 p90 -128.41 144.81 51.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.836 0.351 . . . . 0.0 110.502 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -87.95 147.59 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.985 0.421 . . . . 0.0 111.594 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.409 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.7 pt -78.36 -35.45 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.277 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 75.5 p -68.0 -19.63 64.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.093 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -119.74 99.47 6.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.02 -16.93 61.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.703 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.01 -26.54 62.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.3 m -67.9 -54.4 19.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.436 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -58.12 -35.41 71.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.699 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 57.0 p -71.98 -53.83 11.8 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.671 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.411 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -62.56 -39.02 92.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.733 ' HB ' HD21 ' A' ' 91' ' ' LEU . 12.4 p -58.49 -36.08 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.581 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.54 82.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.257 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 42.3 mt-10 -66.26 -48.95 68.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -57.26 -25.74 59.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.281 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.02 -50.3 64.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -70.94 -36.35 72.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 9.8 mm-40 -61.33 -28.65 69.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 53.5 mt -65.01 -37.01 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -67.85 -26.19 65.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.626 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 36.9 mmt180 -50.44 -44.34 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.732 -179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -79.5 -49.2 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.539 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -87.3 32.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.001 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.37 -22.07 65.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -89.34 -19.6 25.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -81.47 147.88 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.7 -69.14 0.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.661 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -87.01 118.41 26.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 29.9 mm -103.11 104.99 43.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.305 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 24.2 Cg_endo -61.7 116.72 3.62 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.385 2.056 . . . . 0.0 111.769 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 46.5 tp -145.05 158.33 43.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.949 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 25.4 tp -159.46 128.51 5.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.392 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.678 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -104.67 143.86 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.381 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.636 HG12 HG22 ' A' ' 92' ' ' VAL . 5.1 p -146.4 158.32 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.494 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -122.69 108.87 1.3 Allowed Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.355 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -81.14 -170.53 2.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt 57.76 16.31 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.5 t -64.23 -15.06 59.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.116 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -58.24 -17.6 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.392 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.572 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.2 mt -105.92 84.07 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.635 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.497 ' HG2' HH22 ' A' ' 136' ' ' ARG . 40.9 mt-10 -72.58 -13.63 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.083 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -92.87 -28.7 16.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.303 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.572 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -98.06 17.86 17.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.23 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.497 HH22 ' HG2' ' A' ' 133' ' ' GLU . 45.4 ttm105 -82.87 116.53 22.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.574 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -99.43 -24.03 14.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.347 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.0 t -101.37 102.16 20.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.381 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -59.9 132.44 44.99 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.055 1.837 . . . . 0.0 111.254 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.36 -43.4 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.721 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 44.6 mt-10 -55.46 -49.72 71.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.566 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -64.91 -33.94 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.235 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.457 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.4 mtt180 -73.0 -37.91 66.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -64.79 -46.64 81.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.525 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.438 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.2 OUTLIER -69.65 -41.99 74.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.377 -179.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.678 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.19 -36.04 76.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.751 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.48 -32.53 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.752 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -51.76 -45.35 63.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.438 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 11.1 m0 -62.65 -25.5 68.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.107 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.52 18.18 10.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.254 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.74 -176.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.088 0.471 . . . . 0.0 111.287 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -124.47 132.53 53.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.543 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -101.14 141.83 33.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.11 0.481 . . . . 0.0 111.489 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.52 153.77 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.287 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.59 138.31 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.475 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.0 p -148.55 152.75 37.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.431 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.0 p -117.7 109.73 16.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.41 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -66.22 -8.53 25.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.428 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -79.19 -53.68 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 44.1 p -86.73 3.24 45.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.269 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.544 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.06 40.61 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 O-C-N 123.62 0.575 . . . . 0.0 111.9 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.51 -55.43 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.174 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.475 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.5 m-20 -111.87 15.0 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -67.09 -34.09 67.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.795 0.331 . . . . 0.0 110.717 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.27 -15.53 61.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.276 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.75 -39.95 95.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.193 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.29 -28.57 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 111.695 -178.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -74.74 -45.41 44.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -71.95 -39.62 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.2 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.505 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 14.4 t70 -59.53 -51.93 67.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.558 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.5 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.4 tm? -56.77 -43.98 81.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.239 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.477 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.0 ttm -55.53 -41.38 73.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 92.4 mtm180 -69.8 -45.65 67.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.623 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -54.73 -48.99 71.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.618 HD11 ' HA3' ' A' ' 88' ' ' GLY . 78.4 mt -57.93 -32.17 42.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.51 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.56 HH11 HD23 ' A' ' 57' ' ' LEU . 82.7 mtp180 -74.12 -55.48 6.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.8 m -87.81 -58.79 2.44 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -59.19 -54.43 47.0 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 63.4 tttm -62.64 -55.85 23.24 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.6 mmt -60.22 -12.84 9.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.548 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.8 t -77.53 -50.65 12.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.694 0.283 . . . . 0.0 111.005 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 61.31 178.55 0.11 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.201 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -66.69 -72.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.938 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.41 ' O6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.809 0.338 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.75 153.75 20.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 tp -122.16 111.58 17.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.375 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -105.04 118.41 36.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.226 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' H ' ' HG2' ' A' ' 87' ' ' GLU . 99.4 mttt -85.46 146.46 26.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.491 HG13 HD23 ' A' ' 172' ' ' LEU . 2.0 t -132.22 123.44 50.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.487 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.3 mm -107.08 107.78 23.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.425 ' HE1' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -70.17 105.02 2.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -179.631 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.9 p -117.98 156.98 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.795 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 165.57 88.88 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.393 -0.908 . . . . 0.0 113.026 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.455 ' N ' HG22 ' A' ' 104' ' ' THR . 30.1 t 62.11 -83.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.764 0.316 . . . . 0.0 111.534 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.58 45.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.024 -0.608 . . . . 0.0 112.294 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.45 34.88 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.01 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.3 t -93.39 -69.77 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 111.211 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.95 38.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.252 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -55.99 -55.81 28.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.794 0.33 . . . . 0.0 111.086 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -56.27 -31.31 63.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.451 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.85 -53.04 45.07 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HE1' ' A' ' 19' ' ' MET . 1.2 mt -62.86 -24.84 67.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.9 m -67.18 -47.53 70.67 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.191 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.38 -29.56 66.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.6 mm100 -67.51 -32.91 74.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.078 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -72.77 -29.59 63.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.82 0.343 . . . . 0.0 111.06 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.0 tpp -82.6 -49.79 9.47 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -107.9 -21.01 13.0 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.1 m-20 62.5 30.74 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 110.624 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -137.77 128.04 26.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.717 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -77.87 108.96 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.3 t -109.82 151.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -86.38 12.52 9.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 9.1 m-20 -120.98 120.62 35.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.935 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -103.08 -176.92 3.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -141.98 128.39 11.07 Favored Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 156.02 64.07 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.433 2.089 . . . . 0.0 112.305 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -89.85 127.85 36.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -134.55 -62.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.41 1.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' H ' ' H ' ' A' ' 48' ' ' ALA . 17.1 t70 -76.95 133.67 39.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 85.3 p -117.83 174.23 6.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 36.8 m-85 -118.1 144.01 45.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.696 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -146.02 132.44 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -158.7 144.59 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.767 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 61.5 mttp -96.1 132.62 41.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.493 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.1 m -146.24 157.62 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.923 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -87.61 116.18 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.8 tp -120.69 112.91 19.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.021 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' HB2' HH12 ' A' ' 177' ' ' ARG . 11.4 m-20 56.36 31.26 18.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 20.38 64.15 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.869 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.53 114.28 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 110.386 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -73.68 112.78 10.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.507 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.1 m -132.39 144.04 38.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.41 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 43.5 mt-30 -81.1 143.51 32.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.323 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.449 HD12 ' SD ' ' A' ' 173' ' ' MET . 9.9 tt -115.82 131.08 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.611 179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 19.8 t70 -115.82 116.18 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG21 HG23 ' A' ' 31' ' ' THR . 84.2 mt -112.21 145.81 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.99 105.42 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.536 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -69.23 142.02 54.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.775 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.7 p -127.93 131.83 49.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.13 -160.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.751 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.23 98.05 2.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.508 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB2' ' HG2' ' A' ' 79' ' ' ARG . 6.8 mp -84.51 19.84 1.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.97 -13.73 38.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.053 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.86 -35.04 60.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -75.56 173.6 10.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.06 -54.19 6.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.469 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.4 17.95 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.276 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.7 mt -57.07 -16.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.364 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' A' ' 72' ' ' LEU . 76.4 mtm180 -46.52 -35.36 5.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.714 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -55.06 -41.47 71.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.366 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -54.79 -34.51 62.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.568 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -77.24 -22.16 52.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.698 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -84.52 -20.62 31.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 110.971 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -84.39 -15.45 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.81 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.5 m -89.64 13.81 13.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.348 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.14 171.45 24.18 Favored Glycine 0 C--N 1.33 0.218 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.685 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' HG2' ' H ' ' A' ' 16' ' ' LYS . 11.8 pt-20 -114.92 -33.89 5.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.9 0.381 . . . . 0.0 110.673 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.16 160.87 13.32 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.164 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -137.33 132.09 33.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.593 HD11 HG23 ' A' ' 168' ' ' VAL . 0.6 OUTLIER -119.33 99.18 6.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.678 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.57 128.11 34.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.644 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' A' ' 126' ' ' VAL . 54.0 t -141.88 128.09 19.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.737 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.602 ' HB3' HG21 ' A' ' 104' ' ' THR . 20.8 p90 -125.11 149.98 47.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.269 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.2 t -88.11 141.11 28.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.423 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.2 pt -75.41 -31.84 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.748 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.402 HG21 HD12 ' A' ' 132' ' ' LEU . 66.0 p -72.49 -12.32 61.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.853 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -126.09 100.18 6.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -63.06 -16.08 58.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -72.92 -26.69 61.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 90.2 p -69.07 -53.83 18.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.282 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -54.05 -35.92 62.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.449 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.56 -53.98 10.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.17 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.62 89.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.268 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.678 ' HB ' HD11 ' A' ' 91' ' ' LEU . 15.4 p -55.2 -44.72 75.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.75 -33.3 66.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.125 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.21 -45.88 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.656 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -61.0 -25.87 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.177 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.446 ' NE ' ' NE1' ' A' ' 150' ' ' TRP . 8.9 ttm180 -52.0 -46.52 64.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.352 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.93 -39.18 72.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.74 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -60.46 -26.99 67.19 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.68 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.3 -40.64 87.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.142 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.487 HD22 HG13 ' A' ' 121' ' ' ILE . 41.1 mt -67.8 -26.23 65.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.632 -179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 4.0 mmp_? -50.61 -50.72 53.32 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.755 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -69.28 -35.88 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.86 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -106.04 37.85 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.114 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -68.31 -5.16 17.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.309 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -100.66 -15.91 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -98.65 134.37 41.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.44 -50.9 19.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 0.0 OUTLIER -87.11 122.64 31.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.859 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.487 HG13 HD22 ' A' ' 112' ' ' LEU . 38.0 mm -123.05 109.78 31.55 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -64.35 130.33 26.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.506 2.138 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 35.7 tp -144.42 158.05 43.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.372 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.5 tp -166.13 124.7 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.514 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -102.39 143.33 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.396 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' A' ' 92' ' ' VAL . 3.5 t -141.04 151.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -111.84 110.5 2.68 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.244 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.05 -179.32 7.29 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.797 0.332 . . . . 0.0 110.203 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' O ' HD11 ' A' ' 95' ' ' ILE . 26.9 mmmt 54.47 19.78 2.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.127 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.8 t -62.85 -10.51 13.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.347 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -70.61 -2.7 15.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.56 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.9 mt -118.94 79.52 1.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.713 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -66.57 -26.57 67.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.246 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -83.79 -8.16 59.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.168 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.56 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.8 mtt180 -119.85 17.51 12.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.234 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.423 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.9 ttm180 -84.72 109.01 17.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.785 0.326 . . . . 0.0 110.584 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -87.3 -32.72 19.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.184 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 72.9 t -92.49 101.86 5.7 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.75 132.98 55.05 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.154 1.903 . . . . 0.0 111.233 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -54.73 -45.85 73.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.765 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.8 pt-20 -55.17 -34.65 64.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.39 -179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.3 tt0 -75.66 -43.88 45.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.999 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.83 -28.54 70.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.287 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 54.6 mtt180 -74.69 -42.13 58.97 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.398 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.02 -36.46 81.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.88 -43.84 28.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.963 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.506 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.05 -43.52 95.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.872 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -51.02 -32.17 20.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.361 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -53.55 -47.55 69.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.859 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.446 ' NE1' ' NE ' ' A' ' 108' ' ' ARG . 8.2 m0 -65.81 -13.37 59.37 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 110.728 179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 93.07 22.89 26.43 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.634 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.23 -177.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 111.399 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.59 131.32 48.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.498 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.514 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.9 t80 -94.42 134.71 36.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.102 0.477 . . . . 0.0 111.281 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.405 HG13 HG13 ' A' ' 126' ' ' VAL . 10.1 p -130.53 152.23 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.432 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -90.66 136.4 33.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.548 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.443 HG22 ' HB2' ' A' ' 164' ' ' ASN . 82.5 p -147.38 153.17 39.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.046 0.45 . . . . 0.0 111.716 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.6 m -126.58 109.03 11.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.479 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.91 -8.65 7.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -88.82 -40.24 13.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.761 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.7 p -96.34 -4.18 42.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.966 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? 34.51 41.69 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.997 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.89 -56.21 4.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.834 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.443 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.43 10.37 19.78 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -179.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.509 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.4 p -57.27 -43.25 81.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.4 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.76 -27.04 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.451 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -57.03 -31.42 65.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.176 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.593 HG23 HD11 ' A' ' 90' ' ' LEU . 4.9 m -81.34 -27.28 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -71.61 -48.1 50.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.604 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -66.17 -30.3 70.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -67.93 -45.31 74.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.484 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.491 HD23 HG13 ' A' ' 17' ' ' VAL . 49.1 tp -57.21 -49.93 74.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.65 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD12 ' A' ' 64' ' ' ILE . 61.3 mtm -54.23 -49.74 68.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.742 0.306 . . . . 0.0 111.308 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -59.82 -34.71 73.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.776 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -68.21 -30.33 69.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 84.3 mt -73.05 -54.93 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.35 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.577 HH12 ' HB2' ' A' ' 58' ' ' ASP . 61.7 mtp180 -55.62 -31.85 62.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.487 -179.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.9 m -86.73 -58.69 2.51 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.479 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 55.6 tttp -70.44 -54.41 12.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 -178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -57.91 -55.55 33.43 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.0 mmt -63.08 -12.83 29.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.785 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t -81.25 -50.35 9.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.604 0.24 . . . . 0.0 111.397 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 60.99 -178.84 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.04 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -147.39 -75.02 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 66.9 mttm . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.872 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.403 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' O ' ' A' ' 61' ' ' GLU . 84.9 mt . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.15 143.43 26.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.7 tp -115.4 118.99 34.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.744 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -103.88 153.06 21.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -121.14 146.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.927 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 t -127.03 128.47 70.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.586 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.8 mm -113.12 117.07 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.075 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.575 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.0 101.15 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.241 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -85.91 170.73 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.34 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.551 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 171.7 158.89 16.72 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.417 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 100' ' ' SER . 77.7 p -50.22 -34.12 21.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.112 0.482 . . . . 0.0 110.74 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.93 -5.06 1.69 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.007 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.68 70.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.157 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG13 ' OG ' ' A' ' 94' ' ' SER . 54.0 t -117.21 -66.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.771 0.319 . . . . 0.0 111.405 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.57 26.08 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.282 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.575 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 20.1 pttm -54.43 -52.72 60.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.337 . . . . 0.0 111.127 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 31' ' ' THR . 90.8 p -61.1 -30.34 70.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.55 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.46 -53.58 27.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.422 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -24.96 63.83 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.526 HG23 HG21 ' A' ' 66' ' ' ILE . 31.8 m -63.95 -54.09 40.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.995 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.16 -30.01 71.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.106 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.4 mm100 -61.86 -37.46 84.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -72.93 -25.71 61.14 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.368 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.4 tpp -81.87 -49.72 10.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -104.89 -6.13 20.47 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 55.31 32.22 18.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.067 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -150.28 158.34 44.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.583 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.482 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 51.0 t80 -85.65 108.33 17.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.861 0.362 . . . . 0.0 110.965 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 42' ' ' ASP . 60.7 t -114.87 130.59 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.2 -22.87 30.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' H ' HG12 ' A' ' 40' ' ' VAL . 6.6 m-20 -77.09 160.71 28.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.68 -177.82 4.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -143.22 148.05 43.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -56.45 148.37 63.04 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 122.42 2.08 . . . . 0.0 112.243 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -116.97 129.46 56.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -135.69 -39.16 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.761 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.45 4.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -77.48 129.74 36.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 80.6 p -123.31 155.99 36.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -91.95 150.3 21.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.699 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -146.15 137.81 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -168.95 138.41 2.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.67 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.26 124.56 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.379 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.3 144.78 30.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.07 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -87.21 141.22 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.5 tp -141.58 110.28 6.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 56.09 31.33 17.96 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.08 -35.15 4.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -89.96 113.93 25.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.5 tt0 -83.11 113.73 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.6 m -121.51 146.42 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.961 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -80.76 137.51 36.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.474 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.7 tt -110.95 143.38 20.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.034 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -132.02 113.2 13.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.296 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 31' ' ' THR . 83.1 mt -104.6 141.63 19.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.992 0.425 . . . . 0.0 111.498 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -134.2 109.87 9.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.22 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -94.44 136.37 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.2 p -104.16 -173.39 2.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.012 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -144.77 176.86 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.28 99.35 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.2 mt -77.45 5.49 8.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.573 0.225 . . . . 0.0 111.378 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 59.26 -86.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.216 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -171.92 125.38 0.56 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -142.67 -169.4 2.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.12 -54.27 11.65 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.545 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.7 25.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 42.9 mt -59.97 -18.68 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.022 0.439 . . . . 0.0 110.929 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -65.16 -46.47 80.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.41 -31.06 54.31 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.962 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -52.76 -51.33 61.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.454 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -62.78 -47.89 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.217 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -62.35 -18.37 61.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.182 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -81.6 -45.98 15.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.259 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.5 t -77.49 11.32 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.31 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -121.95 167.94 14.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.786 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -110.85 -63.4 1.4 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.809 0.337 . . . . 0.0 110.63 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.95 148.53 19.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.234 179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.7 143.25 49.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 111.144 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 65.3 mt -130.01 111.45 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.896 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.8 tp -82.27 138.75 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.8 t -133.95 125.22 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.9 p90 -148.16 141.47 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.588 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.424 ' OG ' HG13 ' A' ' 25' ' ' VAL . 75.4 m -83.85 150.14 25.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.965 0.412 . . . . 0.0 111.101 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.441 HD12 ' HB2' ' A' ' 136' ' ' ARG . 40.9 pt -76.84 -33.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.0 t -76.66 -19.91 57.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.286 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HG2' HG23 ' A' ' 96' ' ' THR . 19.9 mm-40 -105.61 97.01 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.659 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.4 ' HB2' ' HG2' ' A' ' 137' ' ' GLN . 55.4 t-80 -62.44 -20.29 64.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.133 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -74.14 -27.02 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 32.4 m -69.16 -53.85 17.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.301 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -56.28 -41.91 76.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.87 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -70.65 -53.41 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.181 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.92 -44.63 94.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.323 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.576 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.4 p -57.4 -32.26 66.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.144 0.497 . . . . 0.0 110.904 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.44 -31.71 68.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.678 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 48.2 mt-10 -68.29 -43.78 76.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -55.65 -25.0 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.529 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -52.93 -52.02 59.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.788 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -70.74 -37.36 73.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.17 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.473 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 12.4 mm-40 -56.5 -35.7 68.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.76 -40.32 86.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.454 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.3 -26.04 66.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.73 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 32.4 mmt180 -51.45 -50.86 58.94 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.5 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -68.52 -35.09 68.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.917 0.389 . . . . 0.0 111.122 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.9 mmtt -97.24 60.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.695 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.65 -15.54 51.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.048 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.98 -23.96 15.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.511 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 8.9 tp10 -85.25 155.0 21.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.741 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -106.84 -67.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.702 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.504 ' HE2' ' HE3' ' A' ' 179' ' ' LYS . 12.4 tptm -76.82 108.78 10.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.324 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.1 mm -105.35 116.81 59.69 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.445 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.34 117.66 5.19 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.267 1.978 . . . . 0.0 111.796 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 60.6 tp -142.05 158.12 44.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.963 0.411 . . . . 0.0 111.233 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.71 130.75 7.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.867 179.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.51 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -104.98 143.36 16.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.032 0.444 . . . . 0.0 111.786 -179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.413 ' HB ' HG11 ' A' ' 168' ' ' VAL . 2.7 p -132.93 162.81 39.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.023 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -128.03 125.9 5.26 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.859 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -97.6 -179.46 4.47 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.798 0.332 . . . . 0.0 110.369 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.402 ' HB3' HD12 ' A' ' 132' ' ' LEU . 73.6 mmtt 56.75 25.34 10.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.856 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 73.8 m -62.62 -20.14 64.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.8 -3.42 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.474 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 56.4 mt -105.53 78.69 1.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.077 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.87 -19.04 61.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.881 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.427 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.2 pt-20 -93.79 -34.53 13.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.538 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.563 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 95.5 mtt180 -87.14 0.39 55.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.37 -179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.441 ' HB2' HD12 ' A' ' 95' ' ' ILE . 43.8 ttm105 -59.72 107.99 0.68 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.913 0.387 . . . . 0.0 111.081 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.4 ' HG2' ' HB2' ' A' ' 98' ' ' HIS . 6.1 tp-100 -88.16 -28.37 21.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.442 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.9 t -113.5 107.75 52.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.883 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.62 126.07 21.15 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.212 1.941 . . . . 0.0 111.74 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.489 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.2 p -47.39 -43.06 8.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.302 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -55.81 -48.81 74.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.48 -34.72 78.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.856 0.36 . . . . 0.0 110.716 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.01 69.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.98 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 72.5 mtt180 -75.76 -47.74 24.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.08 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -52.7 -41.44 63.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.564 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -76.72 -47.53 21.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.504 ' HA ' ' NZ ' ' A' ' 146' ' ' LYS . . . -51.12 -27.98 9.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.047 0.451 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -70.41 -32.08 69.55 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.924 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' A' ' 146' ' ' LYS . 30.3 mt-10 -50.46 -46.54 56.83 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.934 0.397 . . . . 0.0 110.798 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.479 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 35.9 m0 -66.62 -24.7 66.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.947 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.43 19.41 9.35 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.393 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.94 178.23 3.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.184 0.516 . . . . 0.0 111.728 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -117.64 127.18 53.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.696 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.51 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.2 t80 -94.83 141.88 28.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.45 . . . . 0.0 111.511 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 156' ' ' GLU . 43.5 t -137.24 154.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.154 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 155' ' ' VAL . 42.0 mt-10 -89.58 142.45 27.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.572 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.493 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -149.59 162.12 40.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.3 t -132.4 111.33 11.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.227 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.09 -6.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.634 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -94.54 -43.63 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.022 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 36.4 p -92.36 -7.82 46.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.322 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? 35.89 39.29 0.07 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.974 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -73.03 -56.07 5.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.493 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.29 15.89 20.21 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.13 -40.74 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.648 0.261 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.07 -14.53 61.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.328 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 35.5 tttp -62.3 -44.16 97.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.85 -179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.413 HG11 ' HB ' ' A' ' 126' ' ' VAL . 31.2 m -71.34 -31.9 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.775 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -68.26 -48.34 65.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.208 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.82 -40.5 69.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.376 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -61.02 -51.06 70.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.671 0.272 . . . . 0.0 111.014 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.9 tp -60.61 -40.47 91.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.9 ttp -56.68 -38.29 72.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.744 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -69.9 -34.2 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.608 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -59.04 -47.95 83.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.242 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 66.8 mt -57.51 -32.7 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -75.29 -57.51 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.659 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.3 m -87.38 -58.93 2.4 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.504 ' HE3' ' HE2' ' A' ' 120' ' ' LYS . 80.8 tttt -58.1 -54.08 51.05 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 55.7 tttp -63.15 -56.05 20.02 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.96 -12.77 20.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.6 t -73.62 -58.08 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.777 0.323 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 59.67 97.81 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.166 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -75.06 139.63 42.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.799 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 185' ' ' LYS . 12.5 mptt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.403 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.753 0.311 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.48 167.21 10.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.436 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -136.78 100.36 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.321 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.439 ' NE2' ' HG2' ' A' ' 177' ' ' ARG . 74.5 m-70 -106.92 128.17 54.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.779 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -100.33 138.23 37.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -124.2 140.25 48.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.019 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.9 mm -106.54 129.73 59.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.193 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 tpt -82.03 104.5 12.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.497 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.658 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.3 t -92.92 163.74 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.75 164.18 26.93 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.377 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 17.9 t -49.54 -45.93 48.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.015 0.436 . . . . 0.0 111.035 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.28 -3.97 1.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.228 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -158.72 18.68 0.29 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.459 HG23 ' HB3' ' A' ' 22' ' ' SER . 72.3 t -73.4 -71.38 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 111.18 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.19 45.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -49.77 -48.2 50.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.903 0.383 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 31' ' ' THR . 98.0 p -63.91 -29.88 71.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.408 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.68 64.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.201 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -64.13 -24.87 67.85 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 28' ' ' SER . 74.5 m -71.36 -41.28 69.93 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.663 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.89 -44.59 65.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.479 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -57.84 -39.3 77.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.379 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.26 -25.58 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 tpp -82.32 -50.24 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -108.59 -9.94 15.27 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 23.3 t70 60.9 32.47 20.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.098 0.475 . . . . 0.0 110.469 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -149.15 154.93 39.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.787 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -92.23 108.25 19.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.97 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.25 142.87 39.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.036 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.63 101.97 14.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -167.05 130.77 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -140.46 137.42 33.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.1 mm-40 -122.96 138.7 30.11 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.842 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 31.9 Cg_exo -58.87 153.68 49.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.313 2.009 . . . . 0.0 112.185 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -82.01 104.58 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -111.17 42.38 1.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 63.71 11.95 6.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.308 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -94.64 125.96 39.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.779 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.9 p -111.79 158.95 18.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -95.33 160.53 14.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.751 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -145.46 130.44 18.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.981 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -138.71 150.14 45.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.773 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -104.84 131.95 51.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.966 0.412 . . . . 0.0 111.382 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -147.34 138.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -81.47 135.47 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.37 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 69.6 mt -133.35 108.25 8.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 54.25 30.73 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.778 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 103.26 -34.29 5.89 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.831 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -90.15 113.57 25.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 111.187 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.9 tt0 -84.06 118.94 24.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.642 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -116.68 173.92 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.247 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -109.6 142.75 40.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.441 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -114.74 128.03 72.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 0.0 110.974 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -113.26 117.08 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.427 HG21 HG23 ' A' ' 31' ' ' THR . 62.9 mt -114.45 138.93 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -138.16 130.58 29.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -95.96 116.45 28.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.767 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.2 p -80.91 -20.16 42.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -174.12 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.78 104.66 2.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.407 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.582 HD12 ' HG2' ' A' ' 79' ' ' ARG . 84.7 mt -72.94 0.56 10.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.774 0.321 . . . . 0.0 110.814 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 60.45 -90.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.195 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -151.25 129.35 11.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.764 0.316 . . . . 0.0 111.322 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -152.83 -175.43 5.31 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.782 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.81 -54.42 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.635 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.72 22.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.437 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 53.0 mt -56.97 -18.63 7.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.88 0.372 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.582 ' HG2' HD12 ' A' ' 72' ' ' LEU . 91.0 mtt180 -59.29 -48.77 80.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -55.03 -34.47 63.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.276 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -58.48 -34.66 71.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.567 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -75.52 -33.53 60.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.728 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -79.31 -19.62 49.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.357 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.401 ' N ' HG11 ' A' ' 114' ' ' VAL . 57.9 ttt180 -83.54 -4.97 59.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.244 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -105.52 -1.67 24.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.469 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -117.69 157.11 15.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.815 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 44.9 mt-10 -104.79 -8.68 18.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -131.99 159.46 23.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -136.56 133.75 36.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.575 0.226 . . . . 0.0 110.671 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 tt -133.64 109.45 9.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.949 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.658 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 3.5 tp -83.51 132.21 34.95 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.718 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG13 HG13 ' A' ' 126' ' ' VAL . 26.4 t -136.91 139.93 43.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.829 0.347 . . . . 0.0 111.293 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 18.4 p90 -157.23 146.96 20.5 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.3 m -86.89 153.71 21.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.289 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.526 HD13 ' HE ' ' A' ' 136' ' ' ARG . 10.9 pt -78.55 -40.19 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.161 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.476 ' N ' HG13 ' A' ' 95' ' ' ILE . 18.3 p -56.4 -27.11 55.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.977 0.418 . . . . 0.0 110.503 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -109.25 86.79 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.0 -16.83 33.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.923 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.17 -27.05 60.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.208 0.527 . . . . 0.0 110.084 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.582 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 49.7 m -63.08 -47.82 81.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.493 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -55.57 -40.34 71.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.017 0.437 . . . . 0.0 111.175 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 33.6 p -71.54 -51.59 22.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.691 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.148 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.602 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.3 p -57.06 -31.81 65.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.633 179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -62.82 -29.96 71.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.058 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.64 -44.21 91.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.455 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -60.81 -25.73 66.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.228 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -53.31 -41.95 66.17 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.56 -35.97 73.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.779 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -61.88 -35.43 78.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.944 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.0 mt -58.39 -42.46 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.577 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.3 mt -67.51 -26.27 66.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.868 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -57.06 -51.38 69.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 111.601 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.9 m -68.09 -24.18 29.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.045 0.45 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.543 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.1 mmtt -118.82 57.15 0.88 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.384 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -50.74 -35.31 30.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.417 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.41 -49.52 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.158 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.428 ' HA ' HD11 ' A' ' 121' ' ' ILE . 37.5 tt0 54.76 99.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.075 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -138.11 -43.25 0.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.822 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -147.06 81.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.006 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.428 HD11 ' HA ' ' A' ' 118' ' ' GLU . 15.8 mm -88.9 109.73 32.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.594 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.58 97.22 1.03 Allowed 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.458 2.105 . . . . 0.0 111.522 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.543 ' HB3' HG11 ' A' ' 152' ' ' VAL . 0.4 OUTLIER -122.83 149.59 43.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.553 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.3 tp -158.61 125.54 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.218 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.649 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -102.92 143.83 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.996 0.427 . . . . 0.0 111.888 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.594 ' HB ' HG11 ' A' ' 168' ' ' VAL . 9.5 p -143.51 160.03 16.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.975 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.433 ' N ' HG22 ' A' ' 126' ' ' VAL . . . -116.45 136.97 13.24 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.105 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -107.93 -179.16 3.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.87 0.367 . . . . 0.0 110.453 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.455 ' NZ ' HG21 ' A' ' 96' ' ' THR . 2.7 mmmp? 54.1 22.53 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -65.65 -8.62 21.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.07 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -66.22 -4.42 7.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.981 0.419 . . . . 0.0 110.564 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 29.0 mt -121.46 81.24 1.77 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.065 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.91 -12.58 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.652 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -93.89 -8.73 39.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -121.62 15.54 11.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.526 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.1 ttm105 -77.81 108.27 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -88.07 -32.77 18.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 95' ' ' ILE . 2.5 p -95.47 101.67 8.24 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.865 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.48 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 24.3 Cg_endo -61.93 131.68 36.14 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.143 1.895 . . . . 0.0 111.738 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -52.91 -41.14 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.314 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.5 -49.88 71.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.555 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.48 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.0 tt0 -72.59 -29.54 63.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.281 -179.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.55 -28.57 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.238 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 31.7 mtt180 -73.85 -41.61 62.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.2 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -61.74 -45.52 93.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.503 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.78 -47.6 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.949 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.649 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.97 -29.13 68.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.94 -32.25 73.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.552 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -51.9 -43.49 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.78 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -64.49 -24.93 67.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.657 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.29 27.41 5.58 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.37 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.543 HG11 ' HB3' ' A' ' 123' ' ' LEU . 31.4 m -128.49 -178.05 2.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.274 0.559 . . . . 0.0 112.193 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -120.06 144.91 47.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.102 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.5 t80 -113.63 138.27 50.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.228 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.87 153.73 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.401 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.659 HG22 ' HB2' ' A' ' 164' ' ' ASN . 76.4 p -149.68 163.03 39.04 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.991 0.425 . . . . 0.0 111.614 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 57.9 m -127.39 110.9 13.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.522 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.18 -8.99 9.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.567 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.61 -45.09 9.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.714 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 56.0 p -87.38 -5.71 58.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? 34.96 40.44 0.05 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.011 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.67 -56.28 4.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.855 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.659 ' HB2' HG22 ' A' ' 157' ' ' THR . 91.1 m-20 -112.41 18.63 18.33 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 168' ' ' VAL . 6.3 p -65.6 -39.09 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.868 0.366 . . . . 0.0 110.766 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -73.8 -15.29 61.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.24 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -59.9 -38.17 81.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.871 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.594 HG11 ' HB ' ' A' ' 126' ' ' VAL . 33.9 m -76.96 -29.37 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -72.66 -44.74 61.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.696 0.284 . . . . 0.0 111.028 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -72.0 -45.36 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.2 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -58.38 -47.65 83.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 50.4 tp -68.75 -37.77 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.7 ttp -58.47 -49.18 78.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -58.54 -34.62 71.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.001 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.3 mm-40 -63.6 -49.49 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 180' ' ' LYS . 71.6 mt -57.79 -32.11 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.326 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 49.1 mtp180 -74.55 -54.78 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.677 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.424 ' O ' ' HB3' ' A' ' 182' ' ' SER . 75.4 m -87.98 -59.41 2.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.7 tttt -58.57 -54.12 50.65 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 176' ' ' ILE . 65.1 tttm -65.93 -38.89 89.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.8 mmt -81.09 -12.55 59.26 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.78 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 178' ' ' THR . 88.6 p -76.68 -52.36 9.78 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 61.46 169.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.284 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -87.23 -42.92 12.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.042 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.5 mp . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.786 0.327 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.1 158.13 36.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.963 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 tp -117.6 121.6 41.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.041 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -116.82 149.49 39.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.639 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 67.4 mttm -126.86 102.72 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.033 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -94.78 127.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.203 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 HD11 ' HA3' ' A' ' 86' ' ' GLY . 25.6 mm -101.1 126.18 54.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.491 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.6 tpt -79.06 94.26 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.653 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 2.2 t -80.09 166.97 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.47 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 178.18 157.92 19.9 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.393 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.573 ' HB3' HG23 ' A' ' 104' ' ' THR . 56.6 p -55.12 -49.74 70.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.956 0.408 . . . . 0.0 110.724 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.49 -25.88 0.59 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.209 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.85 60.95 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.206 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.51 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.5 t -118.73 -69.59 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.693 0.283 . . . . 0.0 111.365 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 149.42 47.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.693 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.491 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 16.2 ptpt -54.37 -38.66 66.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.071 0.462 . . . . 0.0 110.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 66.3 p -67.02 -29.8 69.72 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.161 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.4 65.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.061 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.58 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -62.53 -24.8 67.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 63.8 m -73.9 -39.08 64.12 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.752 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.93 -49.14 48.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.717 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.606 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.9 mm100 -53.73 -35.89 61.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 111.279 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.578 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.2 ttm -82.16 -50.24 9.25 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -119.04 -15.8 9.23 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.91 58.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.146 0.498 . . . . 0.0 110.309 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -151.23 127.59 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.95 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -93.32 107.39 19.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.8 p -131.62 147.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.75 -13.58 61.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.673 ' H ' HG22 ' A' ' 40' ' ' VAL . 19.1 t70 -76.66 149.26 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.028 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -150.68 149.46 29.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -115.43 123.47 31.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.013 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.33 153.6 70.67 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.326 2.017 . . . . 0.0 112.178 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.9 m -117.42 127.23 53.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -105.65 -51.2 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.43 -2.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.911 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -79.37 136.93 37.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -115.09 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -113.6 141.2 47.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.303 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 41.4 ttp180 -145.99 136.0 23.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.991 0.424 . . . . 0.0 111.333 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -153.81 172.23 17.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.534 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -111.86 128.59 56.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.405 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.6 m -140.15 137.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.877 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 p -74.53 139.96 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.986 0.422 . . . . 0.0 111.115 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD23 HH11 ' A' ' 177' ' ' ARG . 53.5 tp -137.08 105.72 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.881 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 32.65 19.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.678 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.43 -33.52 6.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.359 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -95.82 114.16 25.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -85.44 130.78 34.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.76 149.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.93 132.26 35.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.7 tt -109.14 137.3 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.6 t70 -121.91 114.23 20.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.642 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.442 HG21 HG23 ' A' ' 31' ' ' THR . 71.7 mt -104.41 140.29 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.946 0.403 . . . . 0.0 111.569 -179.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -129.72 113.62 14.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.206 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -93.79 151.28 19.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.7 p -138.12 177.66 7.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.745 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 72' ' ' LEU . . . -140.01 -171.48 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.811 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.8 98.96 0.99 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.314 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD22 ' HG3' ' A' ' 79' ' ' ARG . 7.6 mp -58.14 -67.84 0.31 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.634 0.254 . . . . 0.0 110.64 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 61.74 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.628 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.42 -45.95 47.01 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.299 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -62.5 137.9 58.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.325 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.27 -55.04 39.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.051 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -174.3 64.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.474 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mt -85.71 -16.3 10.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.604 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.528 ' HG3' HD22 ' A' ' 72' ' ' LEU . 98.1 mtt180 -46.69 -47.48 20.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.225 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -53.44 -35.77 60.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -60.82 -48.52 81.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -59.32 -50.06 75.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.411 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.82 -18.9 63.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.184 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -77.77 -35.77 51.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.079 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -81.32 1.1 34.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.195 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.47 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -116.4 160.03 13.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.838 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.67 -62.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.562 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.33 163.34 32.72 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.246 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 33.1 m-85 -136.9 143.07 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.665 0.269 . . . . 0.0 111.055 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 tt -134.03 110.66 9.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.598 ' HA ' ' HB ' ' A' ' 20' ' ' VAL . 8.4 tp -82.26 136.44 35.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.253 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 126' ' ' VAL . 26.9 t -135.52 134.57 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 111.783 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.5 p90 -152.31 154.67 36.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.474 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' OG ' HG13 ' A' ' 25' ' ' VAL . 52.5 m -100.98 149.56 23.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.024 0.44 . . . . 0.0 111.319 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.508 HD13 ' HE ' ' A' ' 136' ' ' ARG . 8.6 pt -75.43 -34.05 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.877 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 p -58.18 -40.62 81.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.672 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.26 100.45 10.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.693 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -62.83 -17.78 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.897 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -73.7 -26.82 60.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.445 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.1 m -63.69 -53.87 44.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.59 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -56.69 -38.92 72.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.833 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.6 p -71.41 -53.42 14.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.074 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.21 -43.44 95.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.147 -179.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.633 HG21 ' HB3' ' A' ' 93' ' ' PHE . 8.7 p -53.86 -37.42 63.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.146 0.498 . . . . 0.0 110.645 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.2 -37.35 67.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.495 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 45.9 mt-10 -62.0 -44.1 97.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.94 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -55.82 -31.27 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.433 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -51.51 -48.51 62.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.87 -40.22 72.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 66.5 mm-40 -60.23 -25.51 65.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 55.9 mt -69.79 -39.84 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.56 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.28 -26.39 66.52 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.724 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -51.12 -50.98 57.78 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.751 0.31 . . . . 0.0 111.762 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.598 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.1 m -69.67 -41.99 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.659 -179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.598 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.2 mmtt -93.23 31.16 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.313 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.94 -20.43 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.331 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.33 -19.29 22.28 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -87.91 177.46 6.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -117.34 -72.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.0 OUTLIER -70.06 125.28 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.541 179.762 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.1 mm -123.57 104.37 34.01 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.312 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.96 123.42 12.56 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.422 2.081 . . . . 0.0 111.761 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 62.5 tp -144.28 156.34 44.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.6 tp -163.41 125.93 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.557 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.6 p -101.24 143.83 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.442 HG13 HG13 ' A' ' 92' ' ' VAL . 13.0 p -140.38 148.12 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.263 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.94 131.43 10.55 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.908 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -100.34 -176.47 3.22 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 46.0 mmtm 56.84 23.4 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -60.2 -26.21 66.19 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.685 0.279 . . . . 0.0 111.479 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.26 -8.89 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.023 0.44 . . . . 0.0 110.553 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD2' ' A' ' 135' ' ' ARG . 50.2 mt -112.35 79.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.71 -29.15 63.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -76.79 -17.65 58.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.9 mtt180 -106.9 9.43 30.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.962 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.508 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.3 ttm105 -77.88 113.22 15.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -93.99 -30.33 14.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.03 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 72.6 t -104.92 107.86 59.71 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.416 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 25.0 Cg_endo -62.6 144.99 95.22 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.177 1.918 . . . . 0.0 111.375 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.483 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -55.68 -43.42 73.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.818 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -56.78 -49.58 74.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.64 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.61 -30.97 71.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.91 -30.07 55.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.473 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 84.1 mtt180 -68.04 -44.51 76.28 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.375 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -61.19 -51.55 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.514 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -47.17 86.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.557 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.54 -32.66 74.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.627 -179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -60.92 -32.57 72.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -52.82 -41.55 64.31 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -68.78 -22.58 64.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.86 31.97 4.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.443 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.7 m -133.37 -176.81 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.087 0.47 . . . . 0.0 111.409 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -125.41 133.09 52.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.793 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -98.18 142.72 29.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.165 0.507 . . . . 0.0 111.836 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 52.0 t -138.6 150.73 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.892 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -89.67 138.7 31.25 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.443 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.611 HG22 ' HB2' ' A' ' 164' ' ' ASN . 47.0 p -148.22 159.03 44.38 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.056 0.455 . . . . 0.0 111.786 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -132.3 110.62 10.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.468 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.32 -9.68 2.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.479 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -85.13 -45.3 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.639 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 65.6 p -90.19 -3.31 57.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.459 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? 33.6 40.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.57 0.543 . . . . 0.0 111.972 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -56.12 4.72 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.611 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.2 m-20 -112.06 16.58 20.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.669 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.1 p -66.99 -42.08 88.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.703 0.287 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.89 -18.95 60.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -67.34 -31.74 72.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.338 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.7 m -73.11 -29.6 29.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.755 0.312 . . . . 0.0 111.377 -179.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -75.31 -45.21 41.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.196 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -72.01 -32.24 66.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.443 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -67.76 -53.86 23.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.043 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.404 ' O ' HG13 ' A' ' 176' ' ' ILE . 67.1 tp -64.07 -34.26 77.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.5 ttm -54.35 -44.88 72.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -67.22 -38.67 85.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -64.14 -28.58 69.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 92.3 mt -72.2 -51.53 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.954 0.406 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.457 HH11 HD23 ' A' ' 57' ' ' LEU . 11.4 ptm180 -73.68 -25.59 60.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.94 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 56.6 m -88.6 -60.02 2.07 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -71.61 -54.83 9.15 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.3 tttm -60.34 -53.72 54.31 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -178.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -60.56 -20.31 60.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.611 0.243 . . . . 0.0 111.654 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.0 t -66.25 -60.48 2.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 111.035 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 46.8 mt-10 60.25 13.74 4.13 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -146.46 156.24 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.755 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.967 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.413 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.67 168.82 18.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.8 tp -134.17 107.45 7.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.995 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -107.62 152.4 24.34 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.8 mttt -129.55 139.91 51.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -121.27 131.74 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.515 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.556 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.6 mm -111.06 114.44 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.071 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -73.33 93.62 1.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.994 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 21' ' ' GLY . 10.8 p -103.9 163.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.557 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.486 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.32 -160.77 31.42 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.779 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.607 ' N ' HG22 ' A' ' 104' ' ' THR . 27.5 t -62.37 -60.93 2.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.945 0.402 . . . . 0.0 111.047 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.83 -16.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.393 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.24 52.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.448 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.663 HG21 ' HA ' ' A' ' 93' ' ' PHE . 55.0 t -106.29 -37.78 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.746 0.307 . . . . 0.0 111.18 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.64 53.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.722 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.686 ' H ' ' HD3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -73.7 -24.3 59.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.614 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.8 p -77.54 -29.43 52.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.36 -52.91 42.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.634 -179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD11 HG11 ' A' ' 92' ' ' VAL . 2.0 mt -55.68 -25.74 41.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 28' ' ' SER . 41.2 m -68.47 -57.57 5.62 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.416 179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.1 mt -54.3 -29.43 47.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.869 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.4 mm100 -71.04 -43.68 67.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.393 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -72.73 -29.06 63.03 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.488 ' HG2' ' O ' ' A' ' 31' ' ' THR . 79.9 mmm -81.75 -47.61 12.68 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -97.52 -7.68 30.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.9 t70 55.43 30.88 15.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.231 0.538 . . . . 0.0 110.039 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -161.33 159.28 28.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.568 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.458 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 43.7 t80 -90.26 107.1 18.93 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.091 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.0 t -142.95 146.07 22.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.846 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -95.34 132.99 39.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -131.68 -42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.104 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.1 t80 59.69 98.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -145.85 108.55 4.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.37 139.96 67.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.247 1.964 . . . . 0.0 112.035 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.9 m -107.51 143.44 35.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.497 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -136.46 -30.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.433 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -172.53 -8.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.608 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.402 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.1 m-20 -73.49 134.19 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.015 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.0 p -133.99 159.17 41.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -99.11 163.26 12.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.718 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 ttp180 -151.07 144.69 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.717 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -163.85 173.4 12.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -113.84 127.22 55.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.7 m -137.8 147.26 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -90.65 143.24 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 57.2 tp -143.15 112.14 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 59.11 31.05 20.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.05 1.01 80.14 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.81 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.74 114.08 19.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.72 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.589 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -78.71 135.21 37.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.33 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.0 m -137.89 146.83 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.914 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -81.02 121.56 26.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -107.43 140.02 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.326 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.426 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.7 t70 -118.55 120.5 37.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.219 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.474 HG13 ' SD ' ' A' ' 35' ' ' MET . 19.8 mm -95.18 137.7 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -179.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.32 99.76 3.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.355 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 7.2 p-10 -92.83 140.79 29.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.864 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -108.78 -177.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.27 168.64 15.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.08 95.28 0.11 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.549 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -81.43 -65.42 1.01 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.608 0.242 . . . . 0.0 110.961 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 62.21 -81.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.466 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -53.73 -37.81 63.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.262 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -83.93 74.44 10.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.806 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.61 -18.22 57.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.666 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -93.09 -26.48 17.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.553 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 66.8 mt -85.5 -28.75 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.423 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.92 -36.44 72.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.411 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.01 -36.9 75.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -56.06 -43.1 77.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.674 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -62.61 -44.61 95.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.497 -179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -63.76 -25.28 68.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -84.38 -16.55 42.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.8 m -86.75 6.52 31.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.378 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.556 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.97 173.95 24.54 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.919 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -113.8 -31.01 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.543 ' HA2' ' HB2' ' A' ' 122' ' ' PRO . . . -104.52 156.15 17.21 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.562 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -136.12 134.64 38.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.8 mt -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.037 179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.631 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.25 123.05 28.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.947 179.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.637 HG11 HD11 ' A' ' 30' ' ' LEU . 15.5 t -127.42 138.73 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HA ' HG21 ' A' ' 25' ' ' VAL . 16.6 p90 -151.06 140.44 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.562 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 t -81.46 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.013 0.435 . . . . 0.0 111.463 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD13 ' HE ' ' A' ' 136' ' ' ARG . 29.1 pt -73.43 -33.51 40.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.568 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.496 HG21 HD22 ' A' ' 132' ' ' LEU . 67.8 p -62.99 -22.28 66.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.16 0.505 . . . . 0.0 109.886 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -124.41 87.66 2.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -59.46 -16.37 23.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -63.8 -27.02 68.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.086 0.47 . . . . 0.0 110.27 -179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.526 ' O ' HG23 ' A' ' 104' ' ' THR . 23.4 m -73.34 -39.23 65.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.787 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -50.91 -49.56 59.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.164 0.507 . . . . 0.0 110.875 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.4 p -72.29 -48.8 39.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.799 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.72 -38.7 67.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.661 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.631 ' HB ' HD11 ' A' ' 91' ' ' LEU . 35.7 p -62.56 -31.42 72.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.042 0.448 . . . . 0.0 110.814 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.76 -33.42 72.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.232 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.78 -41.33 97.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 110.539 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -66.68 -24.7 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.43 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -49.81 -49.13 49.94 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.778 0.323 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.47 -34.0 71.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.077 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -58.77 -38.27 78.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.072 0.463 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.94 -43.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.506 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.4 mt -67.35 -26.23 66.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.938 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -51.18 -50.22 59.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.743 0.306 . . . . 0.0 111.45 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.577 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.0 m -74.15 -42.16 51.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.691 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.577 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.8 mmtt -93.95 38.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.839 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.63 -10.96 56.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.398 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -101.61 -10.94 19.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -98.97 156.04 17.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -97.37 -66.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.707 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -79.38 115.91 19.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.718 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.5 mm -109.82 109.57 59.41 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.543 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 49.1 Cg_exo -55.65 106.29 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.31 2.007 . . . . 0.0 112.012 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.2 tp -134.92 152.96 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.966 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.481 ' HB3' HD23 ' A' ' 90' ' ' LEU . 45.9 tp -160.66 113.4 2.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.655 179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.735 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.8 p -83.4 144.5 9.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.617 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.446 HG12 HG22 ' A' ' 92' ' ' VAL . 4.3 p -148.27 161.18 6.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.34 179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.58 128.97 6.93 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.869 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -97.11 -176.73 3.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.678 0.275 . . . . 0.0 110.373 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.49 ' HE3' HG21 ' A' ' 96' ' ' THR . 26.5 mmmt 57.0 25.72 11.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.967 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.4 t -63.37 -19.52 64.72 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.227 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -68.14 -9.32 45.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.739 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.583 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.5 mp -109.91 85.02 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.743 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -73.11 -43.04 62.26 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.552 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.83 -6.74 17.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.861 -179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.583 ' HD3' HD23 ' A' ' 132' ' ' LEU . 18.4 mtp180 -118.85 3.65 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.488 ' HE ' HD13 ' A' ' 95' ' ' ILE . 40.2 ttm180 -69.68 107.91 3.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.839 0.352 . . . . 0.0 110.477 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -91.04 -32.79 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.997 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 95' ' ' ILE . 1.8 p -95.43 104.15 14.75 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.015 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.11 126.52 18.89 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.177 1.918 . . . . 0.0 111.695 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.8 p -50.38 -41.27 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.316 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.09 -48.58 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.507 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -69.9 -43.31 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.51 69.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.259 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 45.6 mtt180 -72.21 -43.46 64.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.764 0.316 . . . . 0.0 110.87 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.6 t -58.42 -38.82 78.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -75.98 -47.9 23.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.475 179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.735 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.89 -41.59 67.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.879 0.371 . . . . 0.0 111.559 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -58.69 -30.83 67.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.052 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -50.31 -44.55 54.17 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.942 0.401 . . . . 0.0 110.509 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.509 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 33.0 m0 -67.55 -26.26 66.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.0 179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.0 15.67 17.49 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.733 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.66 -175.22 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -124.78 128.65 49.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.467 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.579 ' HA ' HG13 ' A' ' 125' ' ' VAL . 44.8 t80 -94.71 139.87 30.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.986 0.422 . . . . 0.0 111.406 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.3 p -145.03 154.72 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.456 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -89.13 146.83 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.714 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 35.5 p -151.37 152.74 33.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.468 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.7 m -121.35 110.31 15.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.56 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.4 -2.77 14.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.521 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -87.08 -55.55 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.708 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 5.8 t -85.7 -1.31 57.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.08 38.83 0.07 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.206 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.96 -52.63 8.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.757 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -108.47 16.1 23.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.77 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -68.79 -36.89 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.697 0.284 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.92 -15.04 61.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -60.72 -39.8 89.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 165' ' ' VAL . 31.3 m -72.05 -26.78 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -74.4 -46.34 40.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.886 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -72.49 -43.68 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.537 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -57.03 -49.7 75.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.283 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.2 tp -68.12 -32.47 72.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.087 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 50.6 ttm -57.56 -39.62 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.436 ' HG2' HD21 ' A' ' 57' ' ' LEU . 72.7 mtm180 -69.43 -38.5 77.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.113 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -57.21 -47.56 80.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.321 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 83.0 mt -57.4 -34.97 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.375 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 80.0 mtp180 -75.93 -51.23 12.89 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.296 -0.411 . . . . 0.0 112.075 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.414 ' O ' ' HB2' ' A' ' 182' ' ' SER . 37.5 m -87.4 -59.15 2.33 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -61.93 -54.14 46.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.8 tttm -62.93 -54.74 33.79 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 -178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -62.52 -12.71 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.573 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 178' ' ' THR . 44.2 t -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.288 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 59.29 15.35 4.23 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -165.38 108.8 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.822 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.948 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.54 177.05 6.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.8 tp -139.71 103.53 4.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -106.44 121.56 44.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.788 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 97.5 mttt -100.64 127.1 47.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -118.13 136.89 53.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.442 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -112.81 125.05 70.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.285 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.443 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -67.51 91.73 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.378 179.395 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -93.52 159.46 2.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.87 -158.29 28.97 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.418 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.509 ' N ' HG22 ' A' ' 104' ' ' THR . 73.2 p -66.48 -48.35 70.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.127 0.489 . . . . 0.0 110.347 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.17 32.74 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.151 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' ' 25' ' ' VAL . . . 156.72 -96.81 0.16 Allowed Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.789 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.553 HG11 ' HA ' ' A' ' 93' ' ' PHE . 5.3 m 47.61 14.85 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.139 0.576 . . . . 0.0 112.451 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.16 35.77 37.22 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.975 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.0 ptpt -59.87 -28.93 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.582 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 54.4 p -72.4 -28.76 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.519 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.77 -50.3 74.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.616 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.713 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -61.19 -25.3 66.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.546 HG23 HG21 ' A' ' 66' ' ' ILE . 28.3 m -71.47 -42.82 67.66 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.432 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.23 -44.94 64.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.726 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.581 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.2 mm100 -55.54 -41.33 73.05 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.855 0.36 . . . . 0.0 111.39 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -72.26 -25.38 61.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.475 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.4 ttm -82.18 -49.76 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.388 0.884 . . . . 0.0 113.388 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -118.33 -2.8 11.06 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.9 m-20 56.22 41.61 29.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.037 0.446 . . . . 0.0 110.377 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -154.47 140.88 18.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.624 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -81.2 118.53 22.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.056 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -126.42 145.94 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.646 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -94.33 -34.74 12.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.144 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -59.07 120.21 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -121.08 146.03 47.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -134.26 100.47 12.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.552 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.52 156.55 11.06 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.529 2.153 . . . . 0.0 112.514 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.8 t -125.04 149.05 48.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.289 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.502 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -85.64 -51.19 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.738 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -160.01 -1.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.876 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -75.11 136.59 41.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.8 p -110.87 175.54 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.801 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 43.3 m-85 -109.6 150.46 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.491 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -139.42 144.88 38.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.998 0.427 . . . . 0.0 111.234 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -161.85 155.54 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.539 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -94.51 131.57 40.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.025 0.44 . . . . 0.0 111.418 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.1 m -146.37 137.37 18.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.647 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.57 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.2 p -89.72 144.18 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.077 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.3 tp -138.69 106.4 5.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 56.63 31.71 19.68 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.03 -37.4 3.68 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.636 -0.793 . . . . 0.0 112.592 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -87.53 114.31 24.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.57 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.3 tt0 -82.67 116.26 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.5 m -118.72 143.43 29.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.818 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -81.52 128.41 33.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.073 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.8 tt -105.5 135.86 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.65 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.524 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 17.2 t70 -125.96 115.79 20.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.546 HG21 HG23 ' A' ' 31' ' ' THR . 74.0 mt -103.6 131.09 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 68' ' ' ASP . 8.2 tp -137.77 131.29 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' N ' HD12 ' A' ' 67' ' ' LEU . 28.9 t70 -171.31 154.33 3.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.458 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 m -151.19 73.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.57 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 52.77 -169.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.548 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.81 112.69 5.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.618 -0.801 . . . . 0.0 111.794 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 53.3 mt -72.56 6.96 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.608 0.242 . . . . 0.0 111.532 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.41 -14.69 61.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.767 0.317 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.16 -61.6 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 48.7 m-85 -60.68 151.11 30.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.892 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.34 -54.07 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.294 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.94 -10.34 2.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 20.2 mt -64.98 -18.12 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.698 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.475 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 37.5 ptt180 -62.9 -34.61 77.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -52.38 -35.16 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -70.83 -46.92 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.205 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -65.11 -29.55 70.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 85.2 mtp180 -77.06 -28.58 54.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.157 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.9 p -87.86 12.03 14.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HG12 ' A' ' 18' ' ' ILE . . . -128.94 134.0 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.59 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -76.04 -51.98 11.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.852 0.358 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.492 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -101.6 170.06 20.84 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.412 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -136.34 137.99 41.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.692 0.282 . . . . 0.0 110.721 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD23 ' HB3' ' A' ' 124' ' ' LEU . 33.6 mt -123.21 104.4 9.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.136 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 104' ' ' THR . 11.3 tp -82.74 128.86 34.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.651 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.3 t -135.01 139.69 46.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.914 0.387 . . . . 0.0 112.041 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.774 ' HB3' HG21 ' A' ' 104' ' ' THR . 25.6 p90 -146.78 162.97 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.551 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 49.6 m -99.24 132.44 44.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.72 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.458 HD11 ' O ' ' A' ' 129' ' ' LYS . 21.2 pt -64.02 -31.94 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.388 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.3 t -81.81 -3.14 53.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.008 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 15.6 mm-40 -123.27 90.35 3.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -63.16 -15.98 58.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.37 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.36 -26.84 62.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.046 0.451 . . . . 0.0 110.839 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.0 m -77.57 -45.36 25.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.487 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -49.7 -40.16 39.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.722 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.5 p -72.61 -54.96 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -58.47 -43.12 88.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.62 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.774 HG21 ' HB3' ' A' ' 93' ' ' PHE . 21.3 p -54.13 -40.61 67.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.278 0.561 . . . . 0.0 110.181 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.75 -27.87 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.887 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 11.1 tp10 -70.65 -29.15 65.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.966 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -77.03 -27.58 54.58 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.405 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -52.0 -43.17 63.53 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.473 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -70.55 -29.96 66.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.77 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -70.1 -32.63 70.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.98 -43.99 85.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.297 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.1 mt -67.53 -26.61 66.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.5 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -62.23 -50.5 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.347 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.98 -11.23 13.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 111.061 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.7 mmtt -127.05 58.3 1.44 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.8 -20.97 66.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -109.05 22.63 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.699 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -59.24 178.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.681 -179.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -137.55 -45.2 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.003 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 180' ' ' LYS . 42.9 tptt -157.89 78.31 0.83 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.001 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.21 117.75 20.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.982 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.492 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.1 Cg_endo -86.5 100.8 0.58 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.511 2.14 . . . . 0.0 111.73 178.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.1 tp -111.39 166.48 11.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.067 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.5 ' HB3' HD23 ' A' ' 90' ' ' LEU . 54.3 tp -166.43 122.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.405 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.574 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -101.13 142.82 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.972 0.415 . . . . 0.0 111.546 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 168' ' ' VAL . 16.4 t -143.56 150.38 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.664 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.68 128.15 6.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.189 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -100.21 -167.0 1.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.529 0.204 . . . . 0.0 110.475 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.458 ' O ' HD11 ' A' ' 95' ' ' ILE . 11.2 mmmm 62.38 18.23 10.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 69.5 m -57.7 -26.49 61.81 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.44 -19.19 13.96 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.02 0.438 . . . . 0.0 110.625 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.556 HD13 ' HD2' ' A' ' 135' ' ' ARG . 26.1 mt -101.38 79.76 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.507 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.84 -14.44 61.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.313 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -93.32 -18.01 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.063 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.556 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -103.21 4.78 37.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.08 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.78 107.8 9.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.365 179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -94.62 -29.29 14.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.7 t -92.84 110.27 44.5 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.09 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.89 125.09 17.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 121.973 1.782 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.98 -45.34 51.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.335 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 16.9 mm-40 -60.08 -42.46 94.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.933 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -67.73 -31.0 70.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.37 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.65 -31.44 66.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.5 mtt180 -71.83 -39.61 69.65 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.814 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -63.16 -50.04 71.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.54 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.0 OUTLIER -62.37 -48.15 81.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.81 -41.23 73.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 0.0 111.181 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.99 -31.98 52.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.978 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -51.6 -48.55 63.19 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.729 0.3 . . . . 0.0 110.75 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.54 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 19.6 m0 -66.69 -23.42 66.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.051 0.453 . . . . 0.0 110.323 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.32 27.32 5.88 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.779 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -125.88 -175.22 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.133 0.492 . . . . 0.0 111.778 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -131.1 129.55 42.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.832 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.574 ' HD1' HG22 ' A' ' 125' ' ' VAL . 43.9 t80 -94.97 141.29 28.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.996 0.427 . . . . 0.0 111.28 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.8 p -137.06 154.84 31.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.686 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.3 145.82 25.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.304 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 164' ' ' ASN . 26.6 p -152.8 174.9 13.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.099 0.476 . . . . 0.0 111.854 -179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 31.3 t -152.87 110.61 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.73 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.545 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -65.46 -5.67 8.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -91.16 -37.75 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.705 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 82.6 p -96.62 -5.85 38.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.205 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.15 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.543 0.527 . . . . 0.0 111.659 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.83 -56.27 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.603 ' HB2' HG22 ' A' ' 157' ' ' THR . 71.5 m-20 -111.79 12.09 20.94 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -59.45 -41.57 84.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.752 0.31 . . . . 0.0 111.007 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.85 -21.44 60.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.113 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -69.09 -30.92 69.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.832 -179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.62 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -72.69 -30.83 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 111.357 -179.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -74.68 -45.27 45.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.18 -33.08 67.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.31 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.93 -47.44 80.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.857 0.361 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.8 tp -72.59 -32.43 65.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.718 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -55.46 -41.05 72.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.55 -34.35 75.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.65 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 14.0 mm-40 -63.62 -48.98 75.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.262 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.475 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 71.3 mt -57.07 -32.18 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 181' ' ' MET . 78.4 mtp180 -74.72 -58.45 3.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.5 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 182' ' ' SER . 59.4 m -87.8 -58.93 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 55.0 tttp -55.83 -54.06 49.2 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 88.0 tttt -64.4 -58.26 6.97 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -59.88 -14.05 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 178' ' ' THR . 43.2 t -71.45 -57.76 4.13 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.819 0.342 . . . . 0.0 110.605 179.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 60.82 94.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.079 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -103.65 106.27 16.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.136 -0.935 . . . . 0.0 110.817 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.496 HNB3 ' CA ' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.836 0.351 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.22 178.42 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.946 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.7 tp -140.47 105.34 4.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -106.23 131.59 53.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -111.81 106.69 15.51 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.864 0.364 . . . . 0.0 111.457 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.68 135.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.086 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.476 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.31 139.47 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -88.47 89.92 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.605 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.0 p -97.71 153.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.52 ' HA3' ' HE2' ' A' ' 27' ' ' LYS . . . -173.29 -160.61 22.11 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.576 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 p -69.88 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.993 0.425 . . . . 0.0 110.931 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.12 33.54 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.21 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.01 60.72 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.457 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.607 HG21 ' HA ' ' A' ' 93' ' ' PHE . 25.0 t -116.68 -43.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.639 0.257 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.04 48.44 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.461 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HE2' ' HA3' ' A' ' 21' ' ' GLY . 20.6 mmtp -55.53 -39.98 71.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.096 0.474 . . . . 0.0 110.665 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.2 p -69.64 -29.74 67.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.579 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.62 -53.23 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.232 -178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -64.33 -24.18 67.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' SER . 77.6 m -73.93 -38.69 64.19 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.292 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.69 -49.27 41.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.706 HE21 ' HG2' ' A' ' 162' ' ' ARG . 5.9 mm100 -54.59 -40.62 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.733 0.301 . . . . 0.0 111.165 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -72.71 -25.0 61.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.639 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.7 tpp -81.16 -49.57 10.66 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -118.12 3.59 12.04 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.4 m-20 55.15 35.6 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.686 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HA ' ' NH1' ' A' ' 162' ' ' ARG . 40.5 tt0 -148.12 150.9 34.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -92.46 124.03 36.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 t -128.04 146.99 32.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -82.68 -38.22 23.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.2 173.85 12.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 111.303 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -162.29 -176.22 4.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 19.7 mm-40 -126.91 135.91 28.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.8 Cg_exo -60.38 152.99 63.26 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.355 2.037 . . . . 0.0 111.983 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.3 m -110.42 124.97 52.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.942 0.401 . . . . 0.0 111.231 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -121.25 -45.48 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.54 -9.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.806 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -71.59 130.16 40.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.95 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -111.79 153.75 26.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 65.3 m-85 -96.21 120.66 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.725 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 49.4 ttp180 -128.08 149.59 50.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -164.73 164.71 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.831 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -100.9 126.55 47.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 m -139.08 157.17 28.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.226 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.2 p -105.62 143.09 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.5 tp -141.43 111.73 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.743 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 57.04 31.12 19.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.928 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.55 -28.0 15.18 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.926 -0.655 . . . . 0.0 112.649 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -89.97 114.15 25.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.329 . . . . 0.0 111.048 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -83.67 120.03 25.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.07 175.36 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.08 147.89 29.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 12.9 tt -126.11 134.24 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 18.7 t70 -123.15 114.91 20.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG21 HG23 ' A' ' 31' ' ' THR . 69.3 mt -104.93 137.56 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -131.61 110.89 11.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.13 146.45 35.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.7 p -138.79 114.42 9.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.29 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.34 177.43 5.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.751 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.54 106.05 0.52 Allowed Glycine 0 CA--C 1.519 0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.594 ' HB2' ' HE ' ' A' ' 79' ' ' ARG . 4.6 mp -84.21 20.62 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.643 0.258 . . . . 0.0 111.181 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -64.87 -17.43 64.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 111.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -85.7 -16.49 38.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -94.19 165.59 12.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -54.12 6.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.666 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.39 27.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.55 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 60.3 mt -62.1 -17.21 17.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.869 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.594 ' HE ' ' HB2' ' A' ' 72' ' ' LEU . 99.2 mtt180 -46.27 -43.43 15.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.207 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 10.1 m-20 -53.81 -43.5 69.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.374 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -55.93 -44.9 78.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.442 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -60.3 -33.23 72.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB2' HG11 ' A' ' 114' ' ' VAL . 48.8 m-85 -80.08 -24.62 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.786 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 80' ' ' ASP . 98.2 mtt180 -74.96 -22.68 58.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.1 p -93.95 10.21 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.977 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -133.81 159.79 23.83 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.88 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -103.93 -54.7 2.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.806 0.336 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.61 161.35 29.66 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.529 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -134.19 138.3 45.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.69 0.281 . . . . 0.0 110.613 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD11 HG23 ' A' ' 168' ' ' VAL . 1.8 tt -131.95 106.28 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.769 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -83.0 132.82 35.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.024 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -135.71 137.91 48.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.512 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.663 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.1 p90 -152.03 149.52 28.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.656 179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.51 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 53.4 m -74.48 141.68 44.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 96' ' ' THR . 28.0 pt -76.92 -36.26 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.211 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.499 ' N ' HG13 ' A' ' 95' ' ' ILE . 4.9 t -74.54 -27.74 60.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 0.6 OUTLIER -101.43 94.62 6.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.706 179.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -62.7 -14.99 50.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.127 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.13 -27.22 66.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.382 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.449 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 77.6 p -77.95 -43.43 29.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.702 -179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -56.65 -34.67 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.001 0.429 . . . . 0.0 111.574 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.1 p -72.3 -53.76 11.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.998 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.62 -39.55 91.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.791 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.663 HG21 ' HB3' ' A' ' 93' ' ' PHE . 10.0 p -56.99 -31.64 65.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.7 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.64 76.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.75 -46.67 81.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.034 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -59.28 -24.8 63.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.545 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.442 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.5 tmt_? -51.38 -54.67 24.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.214 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -70.07 -29.79 66.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.537 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 78.6 mt-30 -63.67 -31.0 72.04 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.988 0.423 . . . . 0.0 110.36 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.03 -39.15 82.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.607 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.99 -26.92 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -57.24 -50.6 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.701 -179.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.622 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.15 -22.96 22.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.83 -179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.622 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -121.61 39.4 3.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.152 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.05 67.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.462 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.66 -37.77 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.273 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -83.42 135.31 34.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.802 0.334 . . . . 0.0 110.9 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -78.88 -37.18 40.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 1.2 mptm? -89.48 128.72 36.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.8 mm -126.67 105.71 23.45 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.322 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.413 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 35.5 Cg_endo -65.2 106.4 0.81 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.329 2.019 . . . . 0.0 112.11 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.457 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.5 OUTLIER -126.87 160.44 30.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.788 -179.834 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.4 OUTLIER -168.43 127.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.78 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.564 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.1 p -105.66 143.03 17.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.978 0.418 . . . . 0.0 111.665 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 168' ' ' VAL . 13.7 t -143.49 138.5 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.94 179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -100.78 134.39 11.68 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.909 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -103.3 -178.29 3.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.874 0.368 . . . . 0.0 110.382 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? 58.54 24.2 11.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.977 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.426 ' HA ' HD13 ' A' ' 95' ' ' ILE . 36.8 t -58.44 -17.12 18.26 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -58.76 -29.9 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.04 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.463 HD13 ' HD2' ' A' ' 135' ' ' ARG . 38.8 mt -94.91 82.27 3.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -73.29 -20.0 60.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -87.3 -35.88 18.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.217 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.463 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.7 mtt180 -87.53 5.12 40.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.457 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.8 ttm105 -65.69 108.01 1.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.566 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 23.9 tp60 -87.43 -25.96 23.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 80.2 t -104.21 100.15 20.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.031 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.5 Cg_exo -53.81 132.3 48.77 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.087 1.858 . . . . 0.0 111.394 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -50.43 -44.7 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.069 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 140' ' ' VAL . 18.6 mm-40 -58.8 -49.58 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.129 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.72 -31.49 70.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.854 0.359 . . . . 0.0 110.486 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.19 -31.11 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 91.7 mtt180 -72.17 -33.58 67.81 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.8 t -65.2 -46.54 80.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.046 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -46.75 64.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.047 0.451 . . . . 0.0 110.767 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.01 -47.58 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.699 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -53.46 -31.96 47.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.385 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.53 -48.67 65.91 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.777 0.323 . . . . 0.0 110.983 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.481 ' HB2' HG22 ' A' ' 152' ' ' VAL . 9.5 m0 -69.25 -14.27 62.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.546 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.67 7.2 51.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.481 HG22 ' HB2' ' A' ' 150' ' ' TRP . 2.9 m -107.15 168.47 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.345 0.593 . . . . 0.0 112.419 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -112.32 135.09 53.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.484 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.564 ' HD1' HG22 ' A' ' 125' ' ' VAL . 20.1 t80 -100.92 143.78 30.66 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.535 -179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.62 152.78 29.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.47 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -90.4 136.61 32.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.348 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.675 HG22 ' HB2' ' A' ' 164' ' ' ASN . 81.9 p -147.83 153.74 39.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.997 0.427 . . . . 0.0 111.701 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 15.4 t -130.7 111.7 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.793 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.31 -14.94 30.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -83.12 -29.3 28.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.541 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 73.0 p -95.82 -18.42 20.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.101 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.706 ' HG2' HE21 ' A' ' 33' ' ' GLN . 1.0 OUTLIER 47.35 32.12 2.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.556 -179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.27 -56.27 4.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' A' ' 157' ' ' THR . 69.3 m-20 -112.25 10.77 20.1 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.548 HG11 ' HB2' ' A' ' 33' ' ' GLN . 49.6 t -59.19 -50.28 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.908 -0.317 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -71.3 -14.66 62.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.969 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 6.0 tmmm? -74.29 -30.83 62.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.821 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.691 HG11 HG11 ' A' ' 126' ' ' VAL . 3.3 m -74.49 -27.34 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.73 0.3 . . . . 0.0 111.629 -179.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -73.8 -44.48 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.696 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -72.03 -29.34 64.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.316 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.401 ' OD1' HD11 ' A' ' 124' ' ' LEU . 12.9 t70 -67.4 -43.37 81.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.837 0.351 . . . . 0.0 110.8 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.55 HD13 ' HB2' ' A' ' 124' ' ' LEU . 64.5 tp -72.65 -32.55 65.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 46.1 ttm -55.06 -44.47 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.943 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 91.5 mtt180 -58.06 -42.17 84.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -61.96 -45.76 92.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.575 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 68.9 mt -59.17 -32.27 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.252 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.465 ' HE ' ' HA ' ' A' ' 174' ' ' ARG . 53.4 mtm180 -74.69 -54.34 7.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.843 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 182' ' ' SER . 96.6 m -87.24 -59.19 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -178.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -61.0 -53.69 54.12 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtm? -61.89 -55.62 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.4 mmt -64.4 -13.88 53.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.64 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 178' ' ' THR . 46.7 t -64.06 -61.07 2.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.62 -177.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -104.87 114.73 29.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.763 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.082 -179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.433 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.739 0.304 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.24 163.88 16.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -139.77 109.0 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.804 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -113.52 148.8 35.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.709 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 91.4 mttt -124.2 124.03 41.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.86 131.26 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.083 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.8 mm -99.83 111.75 30.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.982 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.532 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -69.04 102.44 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.4 p -115.1 159.82 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 168.17 85.6 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.876 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.598 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 61.01 -84.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.798 0.333 . . . . 0.0 111.414 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.27 -31.86 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.505 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -128.98 55.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.346 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HB2' ' A' ' 94' ' ' SER . 83.9 t -111.78 -65.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.793 0.33 . . . . 0.0 111.103 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 150.06 41.02 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -50.61 -41.38 54.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.917 0.389 . . . . 0.0 111.077 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 87.0 p -66.55 -30.19 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.192 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.86 -52.26 66.19 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.929 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.638 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -65.39 -25.18 67.44 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 90.1 m -67.16 -46.33 74.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.096 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.0 mt -71.42 -42.92 67.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.299 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.442 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.0 mm100 -57.41 -37.06 72.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.419 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -72.24 -25.16 61.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.75 0.31 . . . . 0.0 111.271 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.9 tpp -81.84 -49.57 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -111.06 -9.18 14.39 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.2 m-20 57.25 32.29 21.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.05 0.452 . . . . 0.0 110.443 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -146.7 135.91 22.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -91.7 108.18 19.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.002 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 t -129.5 141.54 46.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.17 106.35 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -147.36 174.72 11.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -157.44 106.6 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.776 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -122.06 103.9 38.98 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.88 124.7 13.51 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.219 1.946 . . . . 0.0 112.118 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 95.2 m -89.85 123.57 33.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -114.97 -41.07 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -14.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.05 127.09 31.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.527 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.0 p -113.09 174.63 5.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 48.9 m-85 -108.38 145.77 34.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.56 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -142.03 133.36 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -154.72 144.97 21.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 54.4 mttp -94.44 124.54 38.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.6 m -135.87 142.26 39.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.973 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -85.99 140.81 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.988 0.423 . . . . 0.0 111.343 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' A' ' 174' ' ' ARG . 55.6 tp -147.99 118.69 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.511 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 58.28 31.55 20.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.744 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.5 34.94 34.24 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.715 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -153.61 114.99 4.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.761 0.315 . . . . 0.0 110.838 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.1 tt0 -77.63 117.43 19.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.8 145.1 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -88.76 125.91 35.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -108.92 135.21 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.45 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.8 t70 -117.33 113.61 22.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.492 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.1 mt -102.67 139.69 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.527 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.9 OUTLIER -136.68 108.12 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.0 136.26 33.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.82 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.1 p -106.38 160.5 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.71 -163.59 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.82 89.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.064 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.671 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 28.8 mt -83.46 15.14 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.656 0.265 . . . . 0.0 111.422 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -95.93 12.0 31.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.179 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.37 5.59 15.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -114.09 169.22 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.14 -54.06 7.37 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.633 -179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -166.29 15.77 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.597 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt -58.23 -16.89 8.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 111.014 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.671 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 47.6 mtm180 -50.9 -37.62 44.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.368 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.15 -36.19 65.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.185 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -57.58 -42.97 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.358 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -66.75 -43.17 84.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.617 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 114' ' ' VAL . 59.2 m-85 -61.31 -22.08 64.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.701 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 mtp180 -84.12 -19.05 34.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.9 t -81.42 3.31 24.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.449 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.519 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -153.72 157.26 27.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.3 -0.952 . . . . 0.0 112.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -97.6 -38.93 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.767 0.318 . . . . 0.0 110.752 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.33 162.05 24.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.533 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -138.3 125.16 21.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.732 0.301 . . . . 0.0 110.735 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -111.87 102.85 11.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.716 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD21 ' HB ' ' A' ' 104' ' ' THR . 15.3 tp -83.77 133.27 34.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.015 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.584 HG22 ' HB ' ' A' ' 126' ' ' VAL . 66.3 t -142.31 121.54 9.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 23.3 p90 -119.12 150.53 39.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.822 0.344 . . . . 0.0 110.44 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HG13 ' A' ' 25' ' ' VAL . 15.1 t -89.99 141.41 28.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.448 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 21.7 pt -77.64 -27.41 15.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.834 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 p -73.9 -20.69 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.528 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 45.9 mt-10 -123.3 104.57 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -63.38 -16.45 60.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.234 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 11.8 pt-20 -69.99 -26.69 64.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.039 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.6 p -71.68 -53.5 13.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.161 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -49.64 -39.76 37.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.608 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.5 p -73.18 -53.97 9.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.38 -178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.51 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 110.832 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.638 HG21 ' HB3' ' A' ' 93' ' ' PHE . 13.7 p -61.17 -31.86 71.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.842 179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.0 -42.6 57.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -61.79 -38.8 89.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.516 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.57 -23.92 12.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.966 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.404 ' HD2' ' CE2' ' A' ' 150' ' ' TRP . 43.5 mtp180 -48.27 -50.85 28.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -61.88 -35.14 77.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -67.28 -34.05 76.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.631 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.34 -38.19 79.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.926 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.85 -25.4 65.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.955 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -49.81 -51.17 41.67 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.608 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.524 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.7 m -66.46 -52.01 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.524 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -86.37 51.64 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -41.98 40.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.533 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -53.71 -45.65 70.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.947 0.403 . . . . 0.0 110.148 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.426 ' HA ' HD11 ' A' ' 121' ' ' ILE . 31.7 tt0 57.1 104.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.496 -0.774 . . . . 0.0 111.848 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -132.59 -52.56 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.708 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.479 ' HG3' ' H ' ' A' ' 183' ' ' GLU . 74.2 mmtt -146.67 78.66 1.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.027 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.426 HD11 ' HA ' ' A' ' 118' ' ' GLU . 13.8 mm -79.16 112.43 27.98 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.585 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.75 127.51 9.55 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.701 2.267 . . . . 0.0 111.454 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.1 tp -148.48 150.58 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 111.608 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.2 tp -159.31 123.9 4.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.863 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.669 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.1 p -97.97 143.34 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.986 0.422 . . . . 0.0 111.895 -178.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' A' ' 92' ' ' VAL . 12.0 t -141.2 155.63 21.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.814 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.31 134.28 11.47 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.252 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -103.13 -174.86 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.412 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.3 mmtp 55.83 22.81 5.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.3 t -58.84 -17.55 24.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.309 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -76.31 11.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 62.4 mt -132.38 76.31 1.69 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.51 -20.27 61.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.486 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -83.31 -24.71 32.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.486 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.5 mtt180 -103.71 0.25 30.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.066 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -62.44 107.97 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.382 . . . . 0.0 110.51 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -89.02 -27.51 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.113 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -102.73 103.58 33.64 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.968 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.09 130.08 37.66 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.135 1.89 . . . . 0.0 111.357 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -52.3 -45.75 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.356 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.7 mt-10 -60.44 -49.33 77.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.017 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.97 -27.74 69.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.957 0.408 . . . . 0.0 110.674 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -76.64 -30.65 56.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.768 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.3 mtt180 -68.8 -40.4 79.61 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.8 t -64.13 -51.21 64.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.308 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -39.8 94.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.804 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.669 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.94 -37.82 87.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.248 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -57.25 -31.66 65.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.732 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -54.67 -43.25 72.26 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CE2' ' HD2' ' A' ' 108' ' ' ARG . 13.1 m0 -70.44 -0.34 8.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.198 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 77.85 30.03 53.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.141 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -136.04 160.62 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 111.349 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -102.17 129.64 48.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.92 179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.59 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.0 t80 -95.14 145.48 24.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.043 0.449 . . . . 0.0 111.411 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -142.58 151.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.271 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -89.82 146.55 24.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 39.5 p -152.64 149.15 28.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.943 0.402 . . . . 0.0 111.545 -179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.4 p -115.93 110.52 19.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.557 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.61 -3.89 7.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.609 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -87.61 -47.31 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 22.4 p -96.66 -2.31 44.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.167 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 33.84 45.21 0.1 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.618 0.574 . . . . 0.0 111.763 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.31 -55.65 5.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.297 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -112.06 14.54 20.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.597 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.5 p -66.82 -32.8 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.796 0.332 . . . . 0.0 111.106 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -73.46 -26.11 60.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -61.64 -34.7 76.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.877 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -73.4 -31.97 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.685 0.278 . . . . 0.0 111.545 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -74.45 -43.25 57.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.731 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -71.72 -33.46 68.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.063 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -61.45 -53.04 61.74 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.8 tp -64.23 -32.39 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.469 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.8 ttm -54.89 -47.33 74.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.491 ' HG2' HD21 ' A' ' 57' ' ' LEU . 79.8 mtp180 -62.97 -34.46 77.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.32 -46.06 74.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.548 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 69.9 mt -59.11 -32.11 47.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.108 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.82 -51.67 13.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.677 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 182' ' ' SER . 92.9 m -87.25 -58.97 2.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -62.1 -53.8 50.3 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.548 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 7.8 tmtt? -61.13 -49.75 76.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.642 0.258 . . . . 0.0 111.454 -178.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.2 mmt -72.43 -12.66 61.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.412 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t -57.59 -61.49 2.47 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.721 0.296 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 47.6 mt-10 50.92 27.01 2.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.335 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.1 m120 64.17 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.912 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.721 0.296 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.23 130.67 47.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.911 0.386 . . . . 0.0 110.602 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 tt -111.79 111.47 22.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -104.9 141.93 35.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.57 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.51 105.61 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.177 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.71 131.97 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.061 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -94.18 135.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.498 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 5.1 tpt -87.82 89.28 7.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.541 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.7 p -107.19 160.6 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.05 82.93 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.78 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HB2' HG23 ' A' ' 104' ' ' THR . 30.1 t 63.11 -83.26 0.02 OUTLIER 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.974 0.416 . . . . 0.0 111.022 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.71 -85.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.119 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 67.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.107 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 93' ' ' PHE . 97.9 t -109.72 -57.62 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.701 0.286 . . . . 0.0 111.451 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.463 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 154.38 31.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.173 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.498 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 81.2 mttt -46.97 -43.12 18.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 0.0 111.432 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.475 ' O ' ' HB ' ' A' ' 31' ' ' THR . 95.0 p -69.78 -30.27 67.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.477 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -52.74 63.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.312 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.634 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -64.08 -24.79 67.83 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 178.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 28' ' ' SER . 94.8 m -69.86 -46.72 64.93 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.683 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.05 -40.78 74.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.398 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -58.14 -39.84 79.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -72.36 -24.93 61.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.498 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.0 tpp -79.17 -49.36 12.69 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -109.8 -3.04 16.95 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 55.52 32.01 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.787 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -152.98 148.06 26.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -94.56 110.63 22.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.6 t -134.13 143.74 37.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.82 104.88 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.04 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -143.83 172.19 13.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.93 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -162.04 102.77 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -121.55 99.39 45.23 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -61.4 156.58 45.56 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.409 2.073 . . . . 0.0 112.064 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.1 m -70.59 96.08 1.16 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 9.9 mmpt? -98.06 36.76 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 65.93 7.03 4.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.23 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -98.78 125.86 44.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.2 m -100.6 160.46 14.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -98.95 147.2 25.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.559 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -143.73 138.64 28.99 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.936 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -152.33 137.17 17.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -89.08 119.7 29.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.899 0.381 . . . . 0.0 111.125 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -140.2 144.11 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.4 p -79.67 144.23 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.286 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD21 ' HG2' ' A' ' 174' ' ' ARG . 52.0 tp -140.79 109.27 5.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.757 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 56.22 31.13 17.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.24 -30.49 9.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.7 119.05 36.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.5 tt0 -85.38 131.13 34.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.224 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.49 148.93 26.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -85.43 135.35 33.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -110.28 140.76 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.726 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.504 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 14.5 t70 -122.04 114.16 20.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.055 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.422 HG21 HG23 ' A' ' 31' ' ' THR . 68.0 mt -108.55 129.8 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -132.01 105.37 7.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.301 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -72.27 146.47 47.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.211 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 75.9 p -123.76 112.09 16.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.982 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.73 175.14 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.28 114.67 3.94 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD22 ' HG2' ' A' ' 79' ' ' ARG . 7.1 mp -76.31 -73.93 0.25 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.593 0.235 . . . . 0.0 110.855 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 62.96 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.784 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 58.03 83.65 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.744 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 72' ' ' LEU . 27.7 m-85 -155.08 175.43 13.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.525 179.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.46 -55.14 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.443 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 176.91 22.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.935 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.495 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 43.0 mt -54.53 -18.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.537 ' HG2' HD22 ' A' ' 72' ' ' LEU . 94.3 mtt180 -57.63 -51.98 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.935 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.28 -35.17 69.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.303 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.495 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 95.9 m-20 -52.29 -34.49 46.89 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.541 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.25 -42.47 20.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.559 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -66.28 -14.24 61.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.628 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -83.37 -29.03 28.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.767 0.318 . . . . 0.0 111.191 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 87.1 p -85.36 10.33 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.402 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.6 146.23 18.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.626 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -93.15 -48.41 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.906 0.384 . . . . 0.0 110.611 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.4 20.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.296 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 123' ' ' LEU . 34.7 m-85 -132.26 131.84 42.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.827 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.14 107.33 12.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.703 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.72 129.11 34.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 126' ' ' VAL . 21.9 t -135.88 119.29 23.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.737 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.701 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -132.54 155.8 47.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.946 179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 m -97.52 151.4 20.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.475 HD13 ' HE ' ' A' ' 136' ' ' ARG . 21.8 pt -78.38 -37.5 21.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.0 p -60.49 -28.2 68.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.547 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.68 99.48 8.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -63.02 -17.05 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.758 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -71.93 -26.65 62.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.0 p -69.79 -51.6 32.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -55.75 -36.4 67.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.276 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.1 p -72.9 -54.03 9.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.863 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.82 -35.28 76.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.703 ' HB ' HD21 ' A' ' 91' ' ' LEU . 3.6 p -59.58 -39.53 84.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.376 179.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.13 -27.7 63.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.826 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -72.78 -32.75 65.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.055 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -76.69 -25.1 53.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.673 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -51.57 -47.56 63.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.036 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.36 -31.63 72.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.051 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -68.05 -28.22 67.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.1 -43.23 92.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.304 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.27 -26.28 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.736 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -51.51 -50.63 59.58 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.701 0.286 . . . . 0.0 111.58 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.576 HG23 ' HG2' ' A' ' 115' ' ' LYS . 12.2 m -73.37 -13.74 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.401 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.576 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.6 mmtt -120.17 40.87 3.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.91 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.98 3.34 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.506 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -115.05 -27.71 7.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 110.964 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.22 -178.83 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.19 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -128.48 -58.6 1.18 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -68.63 107.09 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.693 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -119.36 103.65 46.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.36 128.38 25.98 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.439 2.093 . . . . 0.0 112.116 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 89' ' ' PHE . 54.2 tp -149.16 156.53 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.43 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.0 tp -162.09 133.24 5.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.269 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.633 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.6 p -108.23 143.77 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 111.837 -179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 92' ' ' VAL . 7.2 p -147.3 147.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.132 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -107.84 128.51 9.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.106 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -99.09 -178.46 3.94 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 120.797 0.332 . . . . 0.0 110.315 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm 54.63 20.1 2.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.215 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 50.9 m -62.66 -11.68 18.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.113 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -66.19 -5.91 11.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.445 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.428 HD13 ' HD2' ' A' ' 135' ' ' ARG . 51.5 mt -117.66 78.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.72 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.3 -24.01 62.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.513 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -83.43 -6.49 59.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.062 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 98.1 mtt180 -124.98 12.89 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.427 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.475 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.6 ttm180 -75.67 108.31 8.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.779 0.323 . . . . 0.0 110.483 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -80.97 -34.69 32.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.542 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -97.95 109.99 53.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.348 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -57.69 135.69 70.92 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.159 1.906 . . . . 0.0 111.542 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.1 p -55.04 -46.84 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.625 -179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.408 ' N ' HG13 ' A' ' 140' ' ' VAL . 7.5 pt-20 -62.84 -30.02 71.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.735 0.302 . . . . 0.0 111.295 -179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -74.92 -31.36 61.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.78 -31.39 51.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.478 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.527 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 81.7 mtt180 -66.43 -40.63 89.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.323 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -66.46 -52.42 46.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.548 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -46.46 88.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.633 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -67.91 -34.21 76.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.47 -31.98 69.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.537 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -51.56 -29.36 16.78 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -81.14 -27.66 35.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.46 31.83 3.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.073 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.8 m -132.13 -177.54 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.156 0.503 . . . . 0.0 111.498 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -121.38 146.82 46.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.811 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 125' ' ' VAL . 45.2 t80 -112.91 135.99 53.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.006 0.431 . . . . 0.0 111.777 -179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.1 p -136.26 155.17 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.218 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -88.85 150.56 22.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 164' ' ' ASN . 16.8 p -151.75 169.19 22.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.21 0.529 . . . . 0.0 111.818 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.9 t -148.3 116.42 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.406 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.68 -5.46 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.546 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -94.69 -37.86 11.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.841 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 68.7 p -97.31 -11.73 23.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 35.25 38.32 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.827 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.56 5.17 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.168 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.531 ' HB3' HG22 ' A' ' 157' ' ' THR . 25.8 t-20 -104.28 1.12 30.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.633 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.475 HG23 HD12 ' A' ' 30' ' ' LEU . 12.6 p -56.59 -44.61 81.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.807 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.449 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.6 p30 -73.99 -20.57 60.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 13.6 tmtt? -60.48 -41.45 94.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.619 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 165' ' ' VAL . 27.2 m -72.9 -28.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.696 0.284 . . . . 0.0 111.437 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -70.9 -46.29 62.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.455 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -71.61 -40.19 69.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.601 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -59.42 -53.73 54.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 124' ' ' LEU . 54.1 tp -62.71 -33.79 75.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.811 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.9 ttm -55.89 -45.23 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.455 ' HG2' HD21 ' A' ' 57' ' ' LEU . 75.7 mtm180 -69.09 -34.36 74.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.729 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.87 -29.2 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.506 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.48 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 94.8 mt -72.8 -54.63 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.614 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.6 ptm180 -63.97 -26.35 68.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.829 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 96.4 m -88.21 -59.6 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -71.31 -54.33 11.19 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.4 tptt -60.38 -56.16 24.86 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.43 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.7 mmt -57.23 -17.4 11.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.605 0.241 . . . . 0.0 111.457 -179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 44.1 t -77.53 -50.02 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.967 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 61.45 169.5 0.11 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -85.29 -43.69 13.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 59.5 mttp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.863 179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.7 mp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.733 0.302 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.39 160.24 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.029 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.5 tp -127.36 112.52 15.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -107.25 117.67 34.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.758 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.45 130.66 44.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.043 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.54 137.56 51.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.351 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.61 108.13 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.083 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.1 tpt -64.34 94.33 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.602 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.6 p -115.76 159.0 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.045 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 160.43 85.98 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.609 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.516 ' HB2' HG23 ' A' ' 104' ' ' THR . 28.6 t 61.79 -84.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.863 0.363 . . . . 0.0 111.187 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.51 -62.51 0.11 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.297 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.92 55.65 0.54 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.518 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.7 t -101.79 -65.14 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 152.65 33.84 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.437 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.636 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 5.6 ptpp? -50.71 -40.45 54.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.839 0.352 . . . . 0.0 111.181 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.2 p -62.1 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.167 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.85 -51.72 63.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.596 -179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.654 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -61.67 -25.49 67.43 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.544 HG23 HG21 ' A' ' 66' ' ' ILE . 52.7 m -69.84 -46.01 66.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.488 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.04 -33.37 70.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.824 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.582 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.4 mm100 -69.16 -33.54 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.808 0.337 . . . . 0.0 111.572 -179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -73.06 -46.13 53.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 ttm -82.45 -50.05 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.62 -23.73 17.5 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -178.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 58.04 42.12 23.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.106 0.479 . . . . 0.0 109.94 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -147.15 127.54 14.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.881 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -72.14 105.84 4.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.743 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG12 ' H ' ' A' ' 42' ' ' ASP . 48.7 t -131.01 144.24 38.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.191 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -84.84 -31.6 23.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.716 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.504 ' H ' HG12 ' A' ' 40' ' ' VAL . 13.5 m-20 -60.24 161.01 7.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -158.53 -178.07 7.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -140.43 126.39 11.65 Favored Pre-proline 0 CA--C 1.532 0.288 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.72 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -57.5 141.18 95.05 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.461 2.108 . . . . 0.0 112.598 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -126.58 131.8 51.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.828 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -126.42 -34.08 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.37 -14.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.75 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -76.14 127.53 33.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.826 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB3' HD23 ' A' ' 67' ' ' LEU . 79.1 p -118.09 174.25 6.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -111.41 162.08 15.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.744 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -151.17 139.26 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -155.83 154.14 30.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -100.21 122.64 43.35 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.34 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 m -138.08 137.8 44.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.918 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.573 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -70.28 138.8 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.999 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD12 HH11 ' A' ' 177' ' ' ARG . 0.1 OUTLIER -131.92 103.61 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.8 t70 54.01 31.28 13.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.784 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.05 -39.1 3.01 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.574 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -90.85 115.97 28.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.913 0.387 . . . . 0.0 111.209 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 43.2 tt0 -75.58 119.35 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.839 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.7 146.1 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -81.63 148.24 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.8 tt -127.55 133.32 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -111.04 115.6 29.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.775 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.544 HG21 HG23 ' A' ' 31' ' ' THR . 23.3 mm -95.87 124.92 48.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.534 HD23 ' HB3' ' A' ' 50' ' ' SER . 1.2 tm? -121.83 103.73 9.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.645 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.63 136.62 51.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.416 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 89.9 m -146.37 149.0 32.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.88 -178.8 0.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.38 112.83 1.46 Allowed Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.816 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 6.3 mp -74.79 11.22 1.11 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.678 0.275 . . . . 0.0 111.316 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -76.91 7.47 4.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.025 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.93 -3.7 25.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 63.7 m-85 -114.66 141.87 47.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.88 -53.31 9.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -131.06 -21.06 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 43.1 mt -57.6 -22.42 17.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 121.045 0.45 . . . . 0.0 110.612 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 4.2 ttp180 -62.36 -44.42 96.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.918 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -65.62 -30.96 71.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -50.8 -34.37 27.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.311 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -65.83 -43.54 88.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' HB2' HG11 ' A' ' 114' ' ' VAL . 40.3 m-85 -68.25 -23.83 64.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.4 -33.94 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.418 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.5 m -87.68 13.77 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.333 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.34 148.0 18.53 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.668 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.34 -10.83 20.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 110.675 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -142.88 166.41 26.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -135.61 136.42 41.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.684 0.278 . . . . 0.0 111.025 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD11 HG23 ' A' ' 168' ' ' VAL . 1.7 tt -131.55 103.54 6.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.585 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.729 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.8 tp -82.97 129.22 35.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 126' ' ' VAL . 19.4 t -134.14 121.72 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.598 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.559 ' HB3' HG21 ' A' ' 104' ' ' THR . 5.3 p90 -131.3 153.87 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.942 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.5 t -94.58 145.63 24.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 27.7 pt -77.23 -34.51 21.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.964 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.6 p -62.17 -25.8 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.183 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -117.03 102.88 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -62.99 -16.2 58.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -71.47 -26.55 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.461 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m -66.03 -53.76 34.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.145 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -58.36 -36.29 73.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.1 p -72.43 -53.34 12.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.775 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.5 -36.53 78.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.729 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.1 p -60.16 -31.37 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.68 84.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.284 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 43.6 mt-10 -62.16 -44.55 96.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.054 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -66.47 -25.2 66.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.577 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -50.75 -53.24 33.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.288 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.07 -36.81 75.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.127 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 74.6 mm-40 -58.5 -29.17 66.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.985 0.422 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.78 -36.5 76.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.633 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.1 mt -68.05 -26.58 65.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.129 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.3 mmp_? -67.84 -50.86 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.314 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.2 m -61.62 -22.35 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 110.657 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -123.2 60.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.008 179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.73 -36.78 26.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.665 -179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -52.96 -46.53 68.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.91 0.386 . . . . 0.0 110.261 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 119' ' ' ASP . 6.8 tt0 55.78 -131.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.406 179.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 118' ' ' GLU . 33.9 m-20 77.94 -45.84 0.44 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.886 0.474 . . . . 0.0 110.064 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -148.44 81.23 1.46 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.528 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.404 HD11 ' HA ' ' A' ' 118' ' ' GLU . 21.3 mm -86.85 109.53 25.18 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.458 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 63.7 Cg_endo -72.1 103.11 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.248 1.965 . . . . 0.0 111.921 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 51.9 tp -133.4 156.55 47.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.004 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 21.7 tp -158.37 122.68 4.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.143 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.561 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -100.09 143.5 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.587 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG13 ' A' ' 92' ' ' VAL . 10.0 p -145.66 154.57 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.59 139.81 15.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.926 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -107.35 -175.17 2.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.409 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.5 mmtt 56.95 19.96 4.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.448 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.6 t -57.56 -19.93 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.067 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -64.17 -8.36 12.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.537 HD13 ' HD2' ' A' ' 135' ' ' ARG . 39.8 mt -119.0 87.62 2.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.829 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -72.39 -40.81 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.234 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -67.4 -26.27 66.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.244 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.537 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.8 mtt180 -96.78 10.27 39.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.496 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 41.7 ttm180 -79.56 108.99 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.71 0.29 . . . . 0.0 110.28 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.403 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 14.3 mm100 -88.87 -26.86 21.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.492 -179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.2 t -103.1 102.54 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 51.9 Cg_exo -54.41 134.44 61.37 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.097 1.865 . . . . 0.0 111.319 179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.96 -46.66 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.554 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.8 pt-20 -57.97 -35.55 71.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.359 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 35.2 tt0 -68.98 -41.25 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.721 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.36 -29.74 70.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.315 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 95.4 mtt180 -70.2 -40.55 74.51 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.313 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.9 t -60.98 -48.18 83.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.631 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -47.99 60.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.283 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 112.017 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -53.41 -32.37 49.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.24 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -54.17 -46.88 72.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.955 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.7 m0 -66.96 -19.62 65.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.789 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.58 29.52 6.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.44 160.18 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.079 0.466 . . . . 0.0 111.74 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -104.62 131.83 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.859 179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.561 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -97.48 141.49 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.085 0.469 . . . . 0.0 111.776 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -138.71 151.98 24.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.053 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.25 143.81 26.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 164' ' ' ASN . 45.1 p -150.14 159.3 44.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.136 0.493 . . . . 0.0 111.791 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 61.6 m -122.78 111.48 16.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.337 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.7 -2.33 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.6 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.4 ' HE2' ' N2 ' ' A' ' 500' ' ' GNP . 24.1 ttmm -96.98 -48.35 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.768 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 63.6 p -83.47 -5.28 59.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.464 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 34.31 39.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.947 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.86 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.673 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.593 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.8 m-20 -112.11 17.18 19.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.343 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.582 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -62.91 -45.75 98.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.434 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.4 p30 -74.0 -16.24 61.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 111.105 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -61.67 -31.45 71.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.793 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' VAL . 26.0 m -80.63 -26.73 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.663 0.268 . . . . 0.0 111.483 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -71.56 -44.44 64.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.812 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -71.84 -47.01 56.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.25 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.94 -45.79 74.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.245 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.7 tp -68.91 -37.04 78.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 3.2 ttp -60.21 -45.21 93.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.256 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -60.19 -36.95 78.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.002 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -58.55 -46.72 86.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.499 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 59.7 mt -58.04 -32.21 43.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.079 0.466 . . . . 0.0 110.765 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.507 HH11 HD12 ' A' ' 57' ' ' LEU . 79.6 mtp180 -73.97 -54.32 8.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.443 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 55.3 m -88.65 -59.72 2.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -55.9 -54.33 45.96 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.5 tttm -64.38 -57.71 8.55 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -178.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 57.7 mtt -58.13 -18.27 24.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 8.4 m -75.61 -49.83 17.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.687 0.279 . . . . 0.0 111.253 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 61.71 162.78 0.08 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -69.03 -34.6 75.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.852 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.4 ' N2 ' ' HE2' ' A' ' 160' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.681 0.277 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.55 97.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.024 0.44 . . . . 0.0 111.103 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 1.3 tt -80.6 102.96 10.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.581 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -104.13 121.78 43.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 111.088 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 57.5 mttp -104.43 117.74 34.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.79 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -100.3 134.29 40.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.1 mm -106.92 126.99 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.191 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.562 ' HB2' ' HA ' ' A' ' 68' ' ' ASP . 4.2 mmt -75.29 98.2 3.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.119 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.466 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -107.14 153.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.437 179.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 177.77 -159.91 26.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.328 -0.939 . . . . 0.0 113.047 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.1 p -59.84 -53.48 57.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.028 0.442 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.21 29.75 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 112.294 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.52 68.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.745 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -129.63 -22.16 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.748 0.309 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 113.96 53.52 0.44 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.546 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 50.5 mttm -59.95 -50.59 73.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.68 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' A' ' 31' ' ' THR . 61.5 p -51.76 -29.42 18.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.285 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.63 -52.81 63.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.984 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.684 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.4 mm? -61.26 -24.56 66.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.492 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.8 m -73.04 -41.11 64.53 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -38.18 72.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.292 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.8 mm100 -64.35 -37.91 89.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.353 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.55 -26.59 61.79 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.753 0.311 . . . . 0.0 111.197 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 40.5 tpp -82.6 -49.51 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -121.31 -11.81 8.73 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 61.78 36.94 15.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.042 0.449 . . . . 0.0 110.57 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -129.46 140.47 51.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.589 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -95.8 105.39 17.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.665 HG12 ' H ' ' A' ' 42' ' ' ASP . 17.6 t -127.16 143.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.08 -27.15 62.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.665 ' H ' HG12 ' A' ' 40' ' ' VAL . 24.3 t70 -62.83 148.33 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.967 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -134.1 -172.78 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -151.6 107.66 2.91 Favored Pre-proline 0 CA--C 1.532 0.252 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.66 142.4 50.3 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.461 2.107 . . . . 0.0 112.467 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.7 m -114.11 141.97 46.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -135.59 -32.07 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.66 -13.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.237 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -80.79 136.31 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.064 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -126.32 168.4 14.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.79 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 21.7 m-85 -102.0 148.79 24.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.224 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -145.29 141.16 28.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.428 . . . . 0.0 111.353 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -161.29 172.86 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.341 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -127.55 127.0 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.067 0.46 . . . . 0.0 111.742 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.54 153.09 32.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.581 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 59.4 t -83.7 131.14 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 111.348 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -120.21 95.14 4.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.743 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 54.15 30.83 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.801 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.51 39.22 4.78 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.645 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -153.0 113.83 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.738 0.304 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -82.91 129.74 35.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.915 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.2 m -133.78 177.9 6.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.688 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.592 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 23.1 mt-30 -119.71 119.09 32.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.806 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.5 tt -107.88 133.03 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -119.87 119.7 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.618 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.85 128.37 63.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.0 tt -132.41 109.48 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.524 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 6.4 p-10 -80.75 120.6 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.9 p -83.58 -10.29 58.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.74 -169.49 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.097 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.36 86.81 0.62 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' HG2' ' A' ' 79' ' ' ARG . 80.2 mt -64.62 -75.27 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.492 0.187 . . . . 0.0 110.796 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.76 35.88 0.13 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.772 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -132.43 -28.89 1.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -87.17 -179.43 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.12 -53.86 8.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.38 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.64 22.11 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.427 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.93 -17.21 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.944 0.402 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.483 ' HG2' HD12 ' A' ' 72' ' ' LEU . 88.1 mtm180 -53.52 -39.52 64.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -58.78 -34.84 71.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.831 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -57.13 -45.3 83.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -61.09 -44.01 98.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.54 -179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' HB2' HG11 ' A' ' 114' ' ' VAL . 31.2 m-85 -66.49 -21.83 66.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.513 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -83.31 -3.27 57.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -100.61 10.54 41.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -140.52 176.18 21.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.594 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 20.9 mm-40 -109.46 -54.35 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.353 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.86 165.14 33.07 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.669 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -135.53 139.82 44.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.721 0.295 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.757 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -131.04 107.73 9.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.762 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 16.3 tp -82.51 129.11 34.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.484 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.453 HG22 HG12 ' A' ' 126' ' ' VAL . 21.5 t -129.97 134.43 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.62 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -147.59 154.64 40.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.621 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.5 m -94.09 144.47 25.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.768 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 96' ' ' THR . 3.6 pt -73.52 -42.86 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.071 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' HG2' ' A' ' 97' ' ' GLU . 4.5 t -65.9 -11.95 50.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.041 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 96' ' ' THR . 10.0 mm-40 -116.96 95.94 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.12 -18.31 63.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -73.7 -26.88 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.806 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 104' ' ' THR . 26.8 m -68.95 -54.07 17.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.856 -178.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -57.71 -34.66 69.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.957 0.408 . . . . 0.0 111.614 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.7 p -72.64 -53.84 10.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.98 -34.4 77.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.4 p -58.49 -39.6 80.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.18 0.514 . . . . 0.0 110.569 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.44 -34.28 66.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.457 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.76 -44.39 81.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.154 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -60.76 -26.4 67.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.268 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -53.7 -45.12 70.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.52 -26.79 63.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.51 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 65.9 mm-40 -74.21 -26.44 60.26 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.03 0.443 . . . . 0.0 110.88 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.33 -38.41 77.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.3 mt -67.63 -26.44 66.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.773 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.51 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 19.0 mmm180 -55.43 -50.53 69.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.2 m -71.73 -11.54 15.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.958 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -131.79 69.53 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.89 -23.05 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.174 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -90.39 -37.89 13.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.054 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.23 132.06 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.733 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.09 -43.99 14.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.755 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.531 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 27.7 mmmt -95.25 120.11 34.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.361 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 34.2 mm -114.84 104.95 53.85 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.449 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HE2' ' A' ' 180' ' ' LYS . 24.2 Cg_exo -63.7 130.51 28.17 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.439 2.093 . . . . 0.0 112.027 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.0 tp -151.16 152.67 33.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.451 ' HB2' HD13 ' A' ' 172' ' ' LEU . 14.8 tp -158.22 120.96 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.305 179.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.606 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -92.8 143.53 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.405 -179.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.453 HG12 HG22 ' A' ' 92' ' ' VAL . 2.5 p -142.02 154.14 18.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.99 115.54 2.59 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.77 -0.729 . . . . 0.0 111.894 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -90.33 -177.32 5.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.793 0.33 . . . . 0.0 110.262 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 129' ' ' LYS . 3.2 tppp? 57.21 17.36 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.759 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 34.5 t -63.36 -10.47 16.84 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.113 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -63.8 -15.08 57.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.915 0.388 . . . . 0.0 110.469 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 135' ' ' ARG . 79.7 mt -104.14 84.08 2.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -72.5 -11.18 60.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -88.85 -28.07 20.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.258 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.576 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.7 mtt180 -99.0 -2.35 37.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.291 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.43 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.4 ttm180 -67.28 107.87 2.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.796 0.331 . . . . 0.0 110.419 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -96.77 -17.16 20.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 62.0 t -110.0 99.88 41.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.17 142.59 55.03 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.346 2.031 . . . . 0.0 111.915 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.529 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -57.07 -45.88 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.405 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.3 mt-10 -56.3 -49.71 73.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.231 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.13 -28.34 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.741 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.94 63.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 75.5 mtt180 -77.39 -36.64 53.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.2 t -60.13 -51.06 71.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.358 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.98 -48.25 74.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.589 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.515 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.0 -29.23 68.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.298 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -64.2 -32.46 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.96 -41.69 62.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.53 -26.72 61.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 109.04 30.14 3.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.272 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.86 170.48 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.089 0.471 . . . . 0.0 111.435 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.34 135.11 54.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.726 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.606 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.7 t80 -97.96 146.22 25.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.05 0.452 . . . . 0.0 111.717 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.89 154.3 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.138 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -89.4 138.41 31.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.268 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.8 p -148.01 156.87 43.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.061 0.457 . . . . 0.0 111.821 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 161' ' ' THR . 68.8 m -136.75 109.04 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.497 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.58 27.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.755 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -74.48 -54.9 6.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 158' ' ' SER . 9.6 t -87.37 -1.67 58.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.45 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.8 ppt_? 34.81 40.03 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.977 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.1 -55.43 5.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.112 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.27 11.29 21.71 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.474 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.7 p -60.44 -42.51 91.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.654 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -73.63 -15.0 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -37.37 83.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.262 -179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.757 HG21 HD21 ' A' ' 90' ' ' LEU . 10.4 p -76.49 -27.82 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.663 0.268 . . . . 0.0 111.418 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -72.52 -46.69 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.29 -46.78 60.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.201 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -57.51 -50.49 72.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.451 HD13 ' HB2' ' A' ' 124' ' ' LEU . 59.5 tp -60.46 -46.77 88.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.892 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 25.1 ttp -54.46 -42.02 70.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.54 -34.13 73.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.09 -26.32 67.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.063 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 82.7 mt -72.57 -54.16 17.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 111.378 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 17.3 ptm180 -60.8 -29.7 69.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.616 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -87.23 -58.31 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.531 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 52.0 tttp -69.6 -53.33 19.36 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.533 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.1 ttmm -62.87 -55.98 21.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -62.16 -13.86 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -178.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 84.7 p -82.93 -38.46 22.76 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.043 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 58.5 -177.75 0.08 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.093 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 30.7 p30 -81.15 179.03 8.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 54.3 mttp . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.854 . . . . 0.0 110.858 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.6 tp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.823 0.344 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.5 172.41 11.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.6 tp -139.06 106.95 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.798 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -104.33 152.74 21.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.627 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 93.8 mttt -129.9 104.29 7.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -98.68 137.75 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -107.63 134.51 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.311 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.451 ' O ' ' HD2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -85.34 96.08 9.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.122 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.603 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -104.76 157.18 5.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.958 0.409 . . . . 0.0 111.302 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.79 -163.81 28.58 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.194 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.474 ' HB3' HG23 ' A' ' 104' ' ' THR . 71.5 p -66.2 -49.32 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.005 0.431 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.67 -13.46 0.78 Allowed Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.112 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.4 68.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.5 t -121.33 -57.56 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.599 0.238 . . . . 0.0 111.168 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.19 39.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.907 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 19' ' ' MET . 33.8 mtmm -53.78 -37.25 63.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.036 0.446 . . . . 0.0 110.678 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' A' ' 31' ' ' THR . 79.1 p -73.33 -29.88 62.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.779 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.446 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.2 -53.02 62.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.986 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD12 HG23 ' A' ' 165' ' ' VAL . 2.7 mm? -60.73 -25.09 66.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.0 m -74.25 -39.92 62.72 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.636 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.25 -31.16 67.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.043 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.587 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.3 mm100 -71.47 -38.37 71.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.197 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -73.22 -44.34 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.849 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 84.6 mmm -82.3 -49.79 9.66 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -94.6 -19.57 20.35 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -177.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.7 m-20 57.99 42.79 22.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.926 0.393 . . . . 0.0 110.465 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -154.59 150.04 27.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.853 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.7 110.47 21.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.06 151.56 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.404 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.22 -77.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.039 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -176.07 104.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -171.19 100.42 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.822 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -155.02 80.79 4.31 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.28 119.61 6.4 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.653 2.235 . . . . 0.0 111.824 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -81.16 100.32 9.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.142 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -90.9 30.85 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.624 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.89 9.76 5.62 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.0 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.98 136.92 38.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.739 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.4 p -104.12 162.41 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -99.24 150.34 22.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -142.85 137.35 29.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.937 0.399 . . . . 0.0 110.989 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -158.23 155.53 29.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.382 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -103.29 122.28 44.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.953 0.406 . . . . 0.0 111.361 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.24 148.03 33.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.618 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.2 p -89.3 130.03 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 111.246 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 55.9 tp -130.12 109.23 10.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.427 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.1 t70 59.78 31.31 20.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.11 -23.85 29.56 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.659 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -96.25 113.88 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 0.0 110.984 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 38.0 tt0 -76.35 126.15 30.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.36 170.59 19.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.79 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -108.05 150.25 27.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.39 134.89 65.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.582 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 21.9 t70 -116.72 113.66 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 66.1 mt -112.83 123.66 68.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.0 tm? -126.43 116.62 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.289 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.82 135.77 46.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.999 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.1 p -102.78 -28.01 12.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.978 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.48 -171.11 0.1 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.071 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.11 107.81 3.42 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.14 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mp -82.46 -56.85 3.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.675 0.274 . . . . 0.0 110.818 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 64.53 -80.13 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.206 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -60.97 -34.46 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.199 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 33.2 m-85 -92.4 69.72 5.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.41 ' O ' ' HG2' ' A' ' 79' ' ' ARG . . . -77.4 -16.5 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.21 -30.76 16.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.601 ' HA ' HD22 ' A' ' 81' ' ' ASN . 55.5 mt -81.99 -27.36 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.498 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.435 ' HB3' HD22 ' A' ' 72' ' ' LEU . 12.9 ptp180 -55.83 -33.73 64.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 0.0 110.571 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.08 -35.44 74.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.631 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.601 HD22 ' HA ' ' A' ' 78' ' ' ILE . 30.2 m-80 -56.02 -34.5 65.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -65.66 -46.86 77.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.025 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -65.8 -17.5 64.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.382 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -82.03 -18.2 44.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.101 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.9 t -101.16 5.03 42.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.185 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.67 148.44 16.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -94.23 -45.64 7.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.342 . . . . 0.0 110.576 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -93.87 160.06 24.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.124 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -138.54 133.59 32.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.33 . . . . 0.0 111.013 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 124' ' ' LEU . 19.5 tp -125.09 106.68 10.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.657 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 9.6 tp -82.16 140.94 33.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.383 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.31 137.28 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' A' ' 104' ' ' THR . 16.4 p90 -156.74 160.09 38.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.708 178.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.486 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 67.3 m -93.81 126.89 39.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.2 pt -60.99 -29.71 46.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.438 HG22 ' HG3' ' A' ' 129' ' ' LYS . 6.0 t -81.45 -20.89 39.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -101.84 96.95 7.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.751 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -63.25 -17.69 62.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -74.15 -27.6 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.008 0.432 . . . . 0.0 110.547 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.8 m -76.63 -53.61 7.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.599 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -49.87 -41.74 46.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.585 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -72.92 -53.98 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.166 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -58.0 -33.76 69.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 93' ' ' PHE . 11.6 p -65.8 -31.47 72.45 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.869 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.64 -29.04 69.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.327 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -66.85 -42.96 84.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -62.01 -25.8 67.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.355 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.1 tmt_? -49.77 -45.89 50.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.561 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.42 -39.64 70.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.538 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 13.5 mm-40 -59.07 -30.53 68.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.12 -43.24 92.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.521 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -67.27 -26.29 66.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.825 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 25.1 mmt180 -53.55 -50.88 64.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.81 0.338 . . . . 0.0 111.817 -179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.602 HG23 ' HG2' ' A' ' 115' ' ' LYS . 16.6 m -71.35 -11.34 14.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.67 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.602 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.9 mmtt -123.23 58.99 1.1 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.494 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.94 -12.79 59.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.433 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.37 6.45 20.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 22.0 mm-40 -115.22 162.34 17.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -116.87 -57.44 2.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.584 ' HZ3' ' H ' ' A' ' 184' ' ' ASN . 46.3 mmtm -74.08 106.65 5.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.53 104.22 54.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.222 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.479 ' HB2' ' HA2' ' A' ' 88' ' ' GLY . 18.3 Cg_exo -66.38 109.2 1.53 Allowed 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.455 2.104 . . . . 0.0 112.098 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.462 HD12 ' H ' ' A' ' 124' ' ' LEU . 54.8 tp -132.84 157.62 44.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.462 ' H ' HD12 ' A' ' 123' ' ' LEU . 28.6 tp -158.17 115.59 2.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.149 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -89.09 136.86 22.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.001 0.429 . . . . 0.0 111.168 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.479 HG11 HG11 ' A' ' 168' ' ' VAL . 21.2 t -140.55 153.79 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.533 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.79 132.66 6.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.769 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -88.71 -162.74 0.88 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.221 -0.288 . . . . 0.0 110.221 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.529 ' HB3' HD12 ' A' ' 132' ' ' LEU . 36.0 mmtp 56.58 18.44 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.364 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.4 m -59.82 -17.06 33.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.937 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -81.29 12.97 3.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.656 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 40.0 mt -125.48 82.2 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.832 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.32 -21.42 60.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.468 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -93.58 -34.74 13.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.336 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.1 mtt180 -84.18 -1.78 55.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.087 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 44.8 ttm105 -61.29 107.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -83.99 -35.01 24.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.2 t -108.69 104.24 53.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.778 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.18 124.67 13.31 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 121.99 1.793 . . . . 0.0 111.372 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.5 p -51.37 -44.09 31.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.305 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 7.0 pt-20 -54.8 -36.75 65.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.6 tt0 -75.13 -39.6 60.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.381 . . . . 0.0 110.396 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.7 -28.6 69.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.818 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.541 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.4 mtt180 -67.96 -45.63 73.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.276 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -60.84 -46.37 90.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.493 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.53 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -65.65 -48.17 73.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.662 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.568 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -52.6 -43.83 65.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.588 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -55.89 -31.8 63.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.63 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -51.28 -48.07 62.34 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.819 0.342 . . . . 0.0 111.055 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.53 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 35.8 m0 -63.92 -21.52 66.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.51 14.73 24.88 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.976 -0.631 . . . . 0.0 112.076 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 19.3 m -118.09 -179.62 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.12 0.486 . . . . 0.0 111.48 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -120.02 131.14 55.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.062 179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.5 t80 -96.1 136.71 36.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 111.418 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 90.1 t -132.85 149.79 32.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.078 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -89.91 137.57 32.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.369 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.3 p -139.17 157.39 46.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.046 0.45 . . . . 0.0 111.382 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 49.1 m -127.0 109.5 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.472 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.9 -6.6 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -93.56 -51.05 5.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.411 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 34.5 p -84.73 -7.13 59.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.411 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.411 ' HG3' ' C ' ' A' ' 161' ' ' THR . 7.4 ppt_? 37.76 35.83 0.08 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.887 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -75.93 -55.97 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -106.71 12.25 29.4 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.64 HG23 HD12 ' A' ' 30' ' ' LEU . 10.0 p -65.37 -43.04 94.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.313 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.409 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.0 m-20 -73.22 -25.42 60.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.799 0.333 . . . . 0.0 111.263 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.13 -32.29 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.068 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -74.7 -26.65 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -178.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -74.93 -45.67 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.778 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -71.87 -36.2 70.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.21 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.4 -48.88 79.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.076 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -71.8 -32.4 67.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.3 ttm -55.72 -45.52 77.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.968 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 57' ' ' LEU . 86.2 mtm180 -60.93 -34.73 75.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.81 -51.71 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.903 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.517 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 74.8 mt -57.59 -31.39 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 62.6 mtp180 -72.5 -59.89 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.644 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.0 m -87.19 -59.13 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -56.95 -54.28 48.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 57.2 tptt -62.98 -50.8 69.35 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -70.38 -12.33 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.718 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 178' ' ' THR . 37.6 t -66.64 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.667 0.27 . . . . 0.0 111.087 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 54.48 90.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.108 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . 0.584 ' H ' ' HZ3' ' A' ' 120' ' ' LYS . 49.8 t30 -101.11 111.01 23.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.67 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.057 -179.811 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.42 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.85 131.32 34.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.8 tp -105.67 112.08 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -104.01 154.02 20.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.579 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -120.66 145.16 47.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.57 121.54 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.858 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -112.58 105.72 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 120.832 0.349 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.571 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -65.14 98.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.701 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -105.49 160.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.683 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 172.79 -157.92 27.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.836 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 29.3 t -59.6 -56.07 26.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.0 0.428 . . . . 0.0 110.973 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.19 -7.69 1.19 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.061 -0.59 . . . . 0.0 112.42 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.53 64.71 0.23 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.078 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 93' ' ' PHE . 38.3 t -115.8 -50.41 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.676 0.274 . . . . 0.0 111.463 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.01 42.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.213 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.571 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.3 OUTLIER -53.02 -49.68 65.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.926 0.393 . . . . 0.0 111.323 -179.516 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.9 p -54.57 -30.13 53.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.586 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.96 -51.85 67.52 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.24 -25.23 65.5 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 28' ' ' SER . 31.6 m -74.04 -42.21 60.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.152 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.65 -32.13 70.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.742 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.551 ' HB2' HG21 ' A' ' 165' ' ' VAL . 13.9 mm100 -69.13 -37.64 78.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.89 0.376 . . . . 0.0 111.17 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -73.63 -49.12 27.62 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.6 mtp -82.1 -50.02 9.53 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -104.51 -5.75 21.26 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 5.5 p-10 40.36 64.36 0.94 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.196 0.522 . . . . 0.0 110.977 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -159.79 128.86 5.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.754 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.409 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 70.1 t80 -80.08 109.07 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -107.48 150.27 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.651 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -65.05 -78.4 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.538 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.81 -153.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.324 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 74.2 t80 67.37 92.22 0.08 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -144.84 68.47 14.32 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.877 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.39 153.38 77.18 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.617 2.212 . . . . 0.0 112.294 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 48' ' ' ALA . 33.4 m -126.75 103.15 7.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -91.07 28.82 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.421 ' H ' HG22 ' A' ' 46' ' ' THR . . . 62.54 12.84 5.74 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.427 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -94.25 128.34 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.762 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.0 m -87.22 170.0 11.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -111.91 166.45 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -144.72 146.85 32.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.981 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -166.48 138.24 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.645 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -98.43 114.9 27.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -129.04 142.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 8.9 p -83.26 142.4 13.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.9 tp -144.3 109.45 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.664 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.9 t70 59.52 31.01 20.71 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.829 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.62 -18.98 56.04 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.753 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -104.35 116.13 31.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.501 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -87.05 120.84 28.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.8 149.64 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -81.47 131.1 35.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.2 tt -106.67 135.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.781 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -126.06 113.62 17.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.688 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 67' ' ' LEU . 65.4 mt -110.25 154.57 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.234 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -146.28 114.69 6.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.209 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.77 131.36 38.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.895 0.378 . . . . 0.0 111.413 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.7 p -119.33 112.23 19.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.953 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.25 -166.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.259 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.42 93.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.353 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 40.3 mt -76.77 8.56 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.72 0.295 . . . . 0.0 111.353 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.87 18.88 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.179 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -106.99 -32.44 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 45.1 m-85 -82.88 142.2 31.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.871 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.68 -36.41 57.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.91 -10.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.393 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 59.8 mt -66.37 -28.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.851 0.358 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.493 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 37.7 ptt180 -58.32 -35.64 72.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -58.22 -31.2 67.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.08 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -54.35 -44.68 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -57.67 -35.24 70.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.489 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -81.33 -24.13 37.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.174 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -81.66 -28.62 33.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.248 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -87.48 12.67 11.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.021 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -124.76 178.86 16.36 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -121.65 -50.95 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.805 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.41 154.69 19.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.348 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -135.35 133.37 38.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.708 0.289 . . . . 0.0 110.985 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 58.8 mt -122.07 111.38 16.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.639 HD11 ' HB ' ' A' ' 104' ' ' THR . 7.4 tp -82.94 118.92 23.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.309 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 t -124.13 136.17 61.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.798 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.584 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -150.31 159.14 44.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.433 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.461 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.7 m -100.31 146.63 26.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.185 0.516 . . . . 0.0 111.586 -179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.484 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.0 pt -76.21 -31.5 21.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.71 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.524 HG21 HD22 ' A' ' 132' ' ' LEU . 68.3 p -66.95 -28.97 68.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.79 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -111.43 97.34 6.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.768 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.67 -15.65 53.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -71.47 -26.71 62.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.428 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 79.8 p -70.57 -51.44 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.449 -179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -53.7 -36.16 61.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.656 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.2 p -72.67 -53.97 10.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.987 -179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.94 -34.37 75.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.639 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.2 p -59.37 -31.76 69.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.5 -27.81 66.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -67.92 -46.42 71.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.588 ' HA ' HE21 ' A' ' 110' ' ' GLN . 20.9 m-85 -62.07 -24.2 66.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.126 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -47.87 -53.57 15.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.21 -38.83 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.402 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.588 HE21 ' HA ' ' A' ' 107' ' ' PHE . 44.3 mt-30 -56.2 -36.72 68.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.171 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -43.01 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.7 mt -67.93 -27.29 66.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.561 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -60.13 -50.61 73.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.66 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.553 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.9 m -67.83 -11.45 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 111.467 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.553 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.8 mmtt -127.35 34.53 4.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -55.68 -29.8 59.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -68.62 -39.47 80.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.949 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -87.91 133.7 33.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -86.47 -34.5 20.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.347 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -89.18 110.08 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.641 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.1 mm -119.64 106.58 41.82 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.992 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.464 ' HB2' HD11 ' A' ' 172' ' ' LEU . 21.2 Cg_endo -61.49 125.95 18.02 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.214 1.943 . . . . 0.0 112.009 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 66.0 tp -142.1 157.39 44.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.7 tp -161.77 132.69 5.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.112 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.589 HG22 ' HD1' ' A' ' 154' ' ' TYR . 4.0 p -108.84 143.63 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.987 0.423 . . . . 0.0 111.939 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.7 p -141.89 156.15 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.996 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.93 110.28 1.14 Allowed Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.811 179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' A' ' 157' ' ' THR . 29.3 p-10 -86.0 -170.15 2.97 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.67 0.272 . . . . 0.0 110.409 -179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.477 ' O ' HD11 ' A' ' 95' ' ' ILE . 25.9 mmmt 61.21 18.15 8.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -60.58 -19.94 59.07 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.283 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -66.03 -10.61 41.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.046 0.45 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.593 HD23 ' HD3' ' A' ' 135' ' ' ARG . 3.7 mp -108.48 91.25 3.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.666 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -72.88 -54.94 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.558 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -7.55 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.858 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.593 ' HD3' HD23 ' A' ' 132' ' ' LEU . 65.0 mtp180 -118.58 22.61 11.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.689 0.281 . . . . 0.0 111.604 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.484 ' HE ' HD13 ' A' ' 95' ' ' ILE . 37.5 ttm180 -99.09 110.26 22.87 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.41 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -94.54 -23.99 17.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.435 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.47 100.48 14.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.378 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.87 140.72 81.31 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.076 1.85 . . . . 0.0 111.236 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.6 p -51.44 -43.74 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.375 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -53.83 -44.28 70.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.512 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.77 -28.65 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.26 -29.2 47.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.342 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtm180 -77.53 -34.89 53.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.156 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.4 t -66.9 -42.87 84.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.482 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -72.96 -45.31 58.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.839 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.78 -44.86 96.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -54.17 -32.28 55.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.344 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -52.67 -41.91 64.26 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.761 0.315 . . . . 0.0 110.655 179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.482 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 18.9 m0 -71.95 -20.64 61.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.591 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.05 9.97 38.11 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.759 -179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.5 m -106.22 -179.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.06 0.457 . . . . 0.0 111.355 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -125.8 131.76 52.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.849 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.589 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.7 t80 -97.47 141.31 30.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.996 0.426 . . . . 0.0 111.31 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.11 154.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.284 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.25 141.8 28.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.289 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.604 HG22 ' HB2' ' A' ' 164' ' ' ASN . 40.4 p -150.92 164.74 35.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.086 0.47 . . . . 0.0 111.854 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 34.8 t -138.91 112.09 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.294 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.99 0.2 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.465 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.17 -45.8 6.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.659 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 66.7 p -91.05 -6.0 54.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.027 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.5 ppt_? 34.82 42.85 0.08 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.77 -55.81 5.02 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.211 -0.45 . . . . 0.0 112.079 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.604 ' HB2' HG22 ' A' ' 157' ' ' THR . 66.9 m-20 -111.93 19.4 17.94 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.658 0.266 . . . . 0.0 111.475 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 33' ' ' GLN . 6.6 p -65.0 -40.77 90.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.665 0.269 . . . . 0.0 111.079 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -73.43 -14.68 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.403 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -63.82 -39.48 94.34 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.9 m -74.25 -27.57 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -72.63 -45.95 56.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.379 . . . . 0.0 110.705 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -72.01 -33.51 68.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.078 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.14 -52.08 65.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 122' ' ' PRO . 64.6 tp -62.68 -33.72 75.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.4 ttm -57.28 -46.24 83.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.646 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -64.02 -34.22 77.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.658 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 16.1 mm-40 -62.12 -51.64 67.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.625 179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.55 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.1 mt -58.18 -32.01 43.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 181' ' ' MET . 79.3 mtp180 -70.18 -58.07 4.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.644 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.2 m -87.92 -59.25 2.29 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 81.6 tttt -58.1 -54.29 48.62 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -177.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 24.4 tptm -63.94 -47.72 79.38 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.0 mmt -68.19 -13.7 62.43 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 23.1 m -63.02 -61.73 2.19 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.789 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 52.13 18.76 0.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.321 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -138.85 100.53 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.4 pttm . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.549 -0.739 . . . . 0.0 111.023 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.743 0.306 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.95 21.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.968 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.98 124.76 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.803 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -116.47 116.85 28.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.493 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.8 mttt -96.2 113.54 25.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 129.27 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.5 mm -108.94 118.41 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.226 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.535 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 89.0 mmm -70.94 87.55 0.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.608 179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.8 p -95.63 163.34 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.26 -153.59 18.35 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.436 -0.887 . . . . 0.0 112.623 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.468 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 73.7 p -62.0 -45.5 93.33 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.932 0.396 . . . . 0.0 110.95 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.13 -10.42 5.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.233 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.62 68.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG21 ' HA ' ' A' ' 93' ' ' PHE . 53.7 t -124.22 -71.15 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 111.189 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 158.14 57.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 27.9 mmtp -57.91 -47.99 81.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.142 0.496 . . . . 0.0 111.07 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' A' ' 31' ' ' THR . 12.3 p -53.74 -29.46 39.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.622 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.26 -52.78 64.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.008 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.778 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -65.38 -24.78 67.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 178.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 28' ' ' SER . 37.4 m -68.8 -41.43 78.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.373 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -71.25 -42.43 68.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.758 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 10.3 mm100 -65.95 -26.77 67.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.751 0.31 . . . . 0.0 111.394 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.35 -51.42 17.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.7 ttm -82.2 -49.8 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -83.57 -20.52 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.481 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.6 m-20 53.48 31.99 13.26 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.609 ' HA ' HH11 ' A' ' 162' ' ' ARG . 10.3 tp10 -152.57 133.52 14.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.825 -178.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' N ' HE22 ' A' ' 33' ' ' GLN . 61.3 t80 -86.65 110.25 19.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.9 t -134.87 145.88 31.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.991 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.31 109.31 9.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -162.99 147.79 11.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.918 0.389 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -121.66 125.89 47.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.498 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -121.55 104.32 40.03 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.175 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -62.58 140.86 83.68 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.396 2.064 . . . . 0.0 112.095 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.3 m -76.84 107.9 9.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.066 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.11 43.06 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.979 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 61.96 16.91 8.51 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.541 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -101.11 126.27 47.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 59.0 m -109.43 155.54 21.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.93 155.9 16.91 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.146 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -146.24 133.81 20.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.675 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -155.51 146.02 22.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 111.191 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -91.77 122.18 34.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.9 m -139.06 137.09 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.3 p -66.51 142.71 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.1 tp -137.33 99.73 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.75 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.22 31.28 18.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 109.39 -43.29 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.839 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -91.18 117.96 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.893 0.378 . . . . 0.0 111.165 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.4 tt0 -73.65 121.98 21.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.03 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.1 m -130.98 147.83 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -82.82 166.0 19.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 10.9 tt -142.6 122.21 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.997 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.493 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.6 t70 -98.27 113.53 25.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.603 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.404 HG21 HG23 ' A' ' 31' ' ' THR . 84.1 mt -107.65 126.73 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.276 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.4 tm? -137.08 104.15 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.197 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -77.72 113.26 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.077 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.7 m -93.71 109.54 21.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.761 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.05 -175.72 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.45 110.49 3.29 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.436 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.602 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 6.5 mp -72.88 -43.42 62.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.579 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 63.88 -81.32 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.446 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.53 -22.45 66.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.35 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.602 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 24.1 m-85 -112.01 71.9 0.76 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.99 0.424 . . . . 0.0 110.806 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.623 ' HA ' ' HD2' ' A' ' 79' ' ' ARG . . . -77.71 -17.23 57.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.367 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.91 -43.58 11.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.608 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 26.9 mt -66.95 -27.15 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.642 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HD2' ' HA ' ' A' ' 76' ' ' ALA . 8.6 ptm180 -59.51 -29.2 67.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.914 0.388 . . . . 0.0 110.652 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.99 -36.46 79.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -57.65 -34.55 69.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.552 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -64.45 -32.39 74.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.706 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -76.13 -15.24 60.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.414 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -84.37 -39.83 18.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.755 0.312 . . . . 0.0 111.169 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.7 p -62.18 -23.04 66.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.13 155.23 16.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -94.7 -51.07 4.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.031 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.617 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -92.4 156.93 23.62 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.672 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' HZ ' ' HZ3' ' A' ' 115' ' ' LYS . 20.8 m-85 -128.73 141.25 51.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.659 0.266 . . . . 0.0 110.677 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.505 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -126.26 108.77 11.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.77 113.99 20.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 126' ' ' VAL . 3.8 t -123.36 124.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.4 p90 -136.9 168.85 18.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.554 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -112.56 147.74 35.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.467 HG13 ' N ' ' A' ' 96' ' ' THR . 30.7 pt -77.43 -37.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 0.0 110.767 179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.556 HG22 HD12 ' A' ' 132' ' ' LEU . 23.2 p -60.95 -14.29 21.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.076 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -126.51 98.98 5.63 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.695 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -62.95 -16.29 58.85 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.55 -179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.27 -26.62 62.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.248 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.403 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 88.1 p -70.09 -53.62 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.778 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -55.7 -34.31 64.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.005 0.431 . . . . 0.0 111.878 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.6 -54.05 10.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.42 -32.67 74.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.299 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.633 ' HB ' HD11 ' A' ' 91' ' ' LEU . 4.1 p -56.93 -39.08 73.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.086 0.469 . . . . 0.0 110.636 179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.44 72.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.978 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -68.54 -43.23 77.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 110' ' ' GLN . 6.7 m-85 -60.54 -24.66 65.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.175 179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -48.43 -43.28 34.13 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.01 -37.37 72.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.474 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 43.3 mm-40 -64.01 -27.35 69.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.31 -36.61 77.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.2 mt -67.68 -26.33 66.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.611 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.474 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.6 mmm180 -50.5 -50.67 52.16 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.769 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -65.72 -33.56 64.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.546 ' HZ3' ' HZ ' ' A' ' 89' ' ' PHE . 24.4 mmtm -104.55 53.12 0.74 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.446 179.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.81 -43.58 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.808 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.14 -40.53 96.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 63.64 158.39 0.08 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.61 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.2 t70 179.71 -62.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.408 -0.814 . . . . 0.0 109.766 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.7 mmtt -145.35 85.71 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.862 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 11.0 mm -86.98 109.14 22.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.66 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.617 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 92.7 Cg_endo -84.02 132.67 5.49 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.519 2.146 . . . . 0.0 111.667 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 54.0 tp -146.61 156.88 43.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.056 0.455 . . . . 0.0 111.281 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.8 tp -155.87 128.63 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.211 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.608 HG11 ' CB ' ' A' ' 147' ' ' ALA . 2.4 p -100.02 143.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.037 -179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.635 HG13 HG13 ' A' ' 92' ' ' VAL . 7.6 p -151.05 147.61 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.417 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -121.88 107.47 1.19 Allowed Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.944 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -82.5 -176.25 6.14 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.992 0.425 . . . . 0.0 110.606 -179.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? 55.44 24.56 6.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.945 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 69.9 m -70.36 2.64 3.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.128 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -59.66 -20.84 58.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' A' ' 135' ' ' ARG . 3.4 mt -101.4 86.54 3.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.834 0.349 . . . . 0.0 111.015 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.424 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.2 mt-10 -73.13 -26.16 61.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.504 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 13.0 pt-20 -88.64 -15.5 34.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.591 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.5 mtt180 -110.59 13.29 22.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.452 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.9 ttm180 -77.24 112.25 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.679 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -83.95 -31.44 25.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.326 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.81 107.38 48.97 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.361 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.87 136.17 74.94 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.131 1.888 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.522 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -55.61 -47.08 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.396 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.406 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.3 mt-10 -61.38 -41.55 97.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.115 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -62.31 -35.48 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -72.05 -32.57 67.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.2 mtt180 -64.16 -38.63 91.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.26 -51.74 54.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.603 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.065 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.608 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -66.54 -40.11 88.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.71 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.03 -32.1 53.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -53.13 -36.47 60.84 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.605 179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -74.39 -27.73 60.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.448 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.2 31.87 3.42 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.148 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.7 m -127.3 -175.4 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.204 0.526 . . . . 0.0 111.621 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -126.32 135.36 51.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.76 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HA ' HG13 ' A' ' 125' ' ' VAL . 40.2 t80 -100.9 143.9 30.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.124 0.487 . . . . 0.0 111.848 -179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 58.5 t -139.39 148.98 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.826 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -89.17 139.22 30.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.499 HG22 ' HB2' ' A' ' 164' ' ' ASN . 66.6 p -143.79 164.93 29.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.134 0.492 . . . . 0.0 111.663 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.433 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 69.4 m -140.46 109.95 6.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.253 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.407 ' HB3' ' C6 ' ' A' ' 500' ' ' GNP . . . -60.61 -9.78 4.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.373 -179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -90.7 -36.19 14.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.586 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.433 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 49.1 p -86.4 -20.25 28.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.615 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.609 HH11 ' HA ' ' A' ' 38' ' ' GLU . 6.4 mtm180 51.06 28.51 3.97 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.484 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.28 -56.62 4.31 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.499 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -112.17 15.9 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.0 p -65.78 -40.4 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.451 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.13 -22.9 59.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.118 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -57.34 -43.95 83.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.199 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.0 m -69.11 -27.01 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -74.78 -48.44 25.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.054 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -72.17 -47.96 46.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.705 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.09 -45.76 79.3 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.783 0.325 . . . . 0.0 110.743 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.451 HD22 ' HG ' ' A' ' 90' ' ' LEU . 60.3 tp -65.18 -32.76 74.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.1 ttm -61.74 -39.62 92.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.436 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -69.25 -35.9 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.834 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.14 -32.66 70.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.69 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.648 HG23 ' HD3' ' A' ' 180' ' ' LYS . 93.3 mt -72.89 -55.12 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.652 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.476 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.91 -24.39 66.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.863 -179.06 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 88.5 m -89.86 -59.41 2.21 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.445 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.1 tttp -70.66 -54.68 10.97 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -177.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.648 ' HD3' HG23 ' A' ' 176' ' ' ILE . 27.5 mtpp -61.7 -43.68 98.39 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.476 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 41.0 mtt -70.21 -13.17 62.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.649 0.261 . . . . 0.0 111.144 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 37.3 t -70.2 -61.27 1.84 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.973 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 56.17 97.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.328 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -87.89 116.65 26.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.543 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 48.6 pttt . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.088 -0.958 . . . . 0.0 111.043 -179.763 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.417 H5'1 ' H8 ' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.831 0.348 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.528 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -98.2 166.68 11.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.29 110.7 15.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.12 135.2 46.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.548 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 98.8 mttt -98.53 146.64 25.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.533 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -135.31 117.1 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.839 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.5 mm -100.88 105.83 18.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.136 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.8 tpt -70.5 89.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.183 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.8 p -101.52 162.33 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.228 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.472 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -179.04 -161.33 26.45 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 25' ' ' VAL . 31.0 t -59.71 -48.21 82.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.08 -28.93 0.52 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.8 38.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.615 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' HB3' ' A' ' 22' ' ' SER . 71.8 t -78.72 -73.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.694 0.283 . . . . 0.0 111.333 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.482 ' O ' HD22 ' A' ' 30' ' ' LEU . . . -178.83 24.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 21.7 pttm -47.11 -45.36 22.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.342 . . . . 0.0 111.217 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -65.56 -30.61 71.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.23 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.01 -52.55 59.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.91 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.569 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -61.0 -24.84 66.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 178.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.3 m -70.5 -45.65 65.2 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.581 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.2 mt -70.98 -41.57 70.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.644 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.536 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.3 mm100 -56.79 -36.76 70.25 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.897 0.379 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.81 -25.64 61.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.847 0.356 . . . . 0.0 111.174 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.8 tpp -82.41 -49.26 10.17 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -115.5 -13.43 11.57 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.2 m-20 61.18 31.64 19.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -139.99 129.42 24.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.705 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -78.31 105.66 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.2 t -134.47 139.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -79.62 99.77 7.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.964 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -172.74 146.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -159.25 150.95 20.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.901 0.382 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 43.6 mm-40 -138.99 133.39 16.36 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.79 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 43.5 Cg_exo -57.53 143.45 94.55 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.438 2.092 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -83.73 151.08 25.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' ' 47' ' ' LYS . 8.8 mtpm? -142.22 68.42 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.0 16.14 3.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.366 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -117.67 134.8 54.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.3 m -119.97 176.59 5.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 41.1 m-85 -90.64 153.41 20.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -147.14 130.31 16.47 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -160.12 143.69 14.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -82.55 130.26 35.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -133.66 150.13 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -93.51 127.43 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.506 HD23 HH11 ' A' ' 177' ' ' ARG . 63.1 tp -130.38 95.2 3.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.54 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 57.44 31.17 19.8 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.626 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.44 -32.82 7.11 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.661 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.38 120.54 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.55 120.12 34.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.8 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG12 ' H ' ' A' ' 13' ' ' ALA . 26.8 m -133.51 146.58 31.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.97 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.5 144.81 27.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.812 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.08 146.04 15.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.154 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.3 t70 -127.94 113.64 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.713 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.533 HG12 ' HB ' ' A' ' 17' ' ' VAL . 80.2 mt -121.98 140.45 45.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.176 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.8 tp -112.42 134.29 54.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.794 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.07 92.44 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.8 p -86.19 177.31 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.984 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -154.05 -177.54 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.225 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' HA2' HH22 ' A' ' 79' ' ' ARG . . . -75.32 104.43 1.75 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.605 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 HD13 ' HB ' ' A' ' 78' ' ' ILE . 90.1 mt -72.03 -46.71 56.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.694 0.283 . . . . 0.0 110.671 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 64.55 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.963 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -89.37 114.31 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.495 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HD2' ' H ' ' A' ' 78' ' ' ILE . 26.5 p90 179.66 161.84 0.89 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.958 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.75 -54.26 6.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.86 60.73 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.784 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.497 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 32.4 mm -86.2 -20.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.71 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' NH2' ' H ' ' A' ' 72' ' ' LEU . 38.0 mmt180 -56.04 -53.76 53.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.319 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -58.14 -32.31 68.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.26 -179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 90.2 m-20 -59.38 -34.73 72.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.416 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -76.9 -29.38 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.515 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -83.02 -15.8 49.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.346 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -81.74 -33.45 31.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.305 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.1 m -92.73 13.97 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.211 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -122.44 161.11 16.75 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.696 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.548 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 16.2 mm-40 -110.58 -55.52 2.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.828 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.9 155.52 24.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.334 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -135.84 131.26 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.79 0.328 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.7 mt -123.47 106.52 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.812 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.65 HD21 ' HB ' ' A' ' 104' ' ' THR . 14.8 tp -82.62 133.36 35.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.43 130.47 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.694 ' HB3' HG21 ' A' ' 104' ' ' THR . 35.5 p90 -141.43 141.43 33.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.636 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 p -85.4 139.99 31.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.945 0.402 . . . . 0.0 110.949 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' ' 129' ' ' LYS . 29.8 pt -76.82 -30.47 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.917 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.9 p -67.3 -17.26 64.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.905 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -126.45 107.15 10.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -62.83 -16.1 57.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.386 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.77 -26.75 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 0.0 110.612 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.417 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.2 m -68.15 -53.78 22.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.4 -35.41 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.908 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.0 p -72.49 -54.39 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.169 -0.468 . . . . 0.0 112.209 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.431 ' HB3' ' OG ' ' A' ' 22' ' ' SER . . . -60.94 -40.63 94.0 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.694 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.3 p -55.68 -45.5 77.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.182 0.515 . . . . 0.0 110.404 179.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.48 -28.48 67.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.739 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.76 -29.23 64.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.919 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -76.61 -24.56 53.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.532 179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -48.37 -41.08 27.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.047 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.99 -35.31 74.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 -63.02 -40.53 98.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.332 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.422 HD11 HG11 ' A' ' 20' ' ' VAL . 93.4 mt -59.93 -41.7 86.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.436 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.04 -26.27 65.79 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -50.43 -51.32 47.64 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.716 0.293 . . . . 0.0 111.753 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.562 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -66.98 -36.75 77.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.904 0.383 . . . . 0.0 111.314 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 76.0 mmtt -99.07 37.65 1.51 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.719 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.17 -19.7 65.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.234 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -106.64 2.47 25.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.956 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 32.1 tt0 -110.53 146.3 36.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.6 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.9 -66.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.277 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -62.31 121.79 14.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.096 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 47.9 mm -130.28 103.88 16.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.845 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.451 ' HD3' ' HD3' ' A' ' 180' ' ' LYS . 45.8 Cg_endo -68.26 96.3 0.47 Allowed 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.285 1.99 . . . . 0.0 112.241 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.2 tp -119.19 157.54 27.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.698 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 59.3 tp -163.91 117.93 1.5 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.279 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.539 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -90.24 143.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.143 0.497 . . . . 0.0 111.587 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 t -133.8 149.78 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.36 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.15 139.19 15.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.663 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -108.09 171.84 7.17 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.481 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.6 mmtp 61.44 18.65 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.156 -179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -59.39 -18.34 38.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.223 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.06 -4.13 19.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.963 0.411 . . . . 0.0 110.597 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.513 HD13 ' HD3' ' A' ' 135' ' ' ARG . 54.4 mt -120.42 85.66 2.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.646 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.417 ' HA ' ' NH1' ' A' ' 136' ' ' ARG . 36.1 mt-10 -73.06 -31.25 64.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.45 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -78.16 -20.06 52.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.314 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.3 mtp180 -104.83 17.15 24.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.39 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.435 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.4 ttm105 -83.52 112.31 19.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.867 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -89.63 -27.44 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -100.1 104.97 32.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -55.76 128.95 32.46 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.17 1.914 . . . . 0.0 111.353 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 8.5 p -52.67 -44.59 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.271 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.417 ' N ' HG13 ' A' ' 140' ' ' VAL . 45.9 mt-10 -55.63 -46.96 77.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.46 -31.56 72.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.718 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.44 -28.54 62.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.926 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.7 mtm180 -74.78 -41.85 59.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 t -63.55 -36.6 84.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.303 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.511 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -76.83 -48.91 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.465 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.67 73.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.898 0.38 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.35 -32.2 72.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.2 -45.34 61.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.732 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 31.0 m0 -68.07 -23.7 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.771 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.35 18.45 11.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.973 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.4 m -119.15 174.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.072 0.463 . . . . 0.0 111.369 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -116.96 128.06 54.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.565 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.1 t80 -95.06 141.11 29.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.99 0.424 . . . . 0.0 111.37 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.79 149.33 26.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -89.94 138.95 31.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.086 179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.467 HG22 ' HB2' ' A' ' 164' ' ' ASN . 71.4 p -145.32 152.22 39.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.824 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -116.66 109.53 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.38 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.23 -1.62 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.955 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -99.55 -42.63 6.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.686 0.279 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.422 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 82.3 p -92.2 -2.35 56.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.455 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 32.95 43.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.607 0.567 . . . . 0.0 112.053 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.79 -55.79 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.548 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.467 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.9 m-20 -111.91 15.74 20.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.65 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.8 p -64.72 -48.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.264 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.465 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.69 -24.2 59.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.699 0.285 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -57.27 -41.52 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.829 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.3 m -71.94 -26.63 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.688 0.28 . . . . 0.0 111.397 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -69.91 -44.41 69.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.915 0.388 . . . . 0.0 110.329 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -72.11 -30.22 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.913 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.9 -52.83 63.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.59 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 44.9 tp -66.5 -31.32 71.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.89 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 21.1 tpp -53.16 -45.09 68.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.004 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -69.27 -34.0 74.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.05 -48.96 79.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.436 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.545 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 67.8 mt -58.11 -32.7 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.597 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.506 HH11 HD23 ' A' ' 57' ' ' LEU . 27.6 mtp180 -75.87 -51.98 11.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.5 m -87.95 -59.34 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.63 -54.39 40.28 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -177.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.545 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.8 tptm -60.55 -48.82 80.09 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.2 mmt -71.86 -12.61 61.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.644 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 34.8 t -60.43 -61.0 2.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.79 0.328 . . . . 0.0 110.451 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 51.11 22.26 1.23 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.541 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 58.05 92.85 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.755 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.945 -179.823 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.28 152.29 29.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.236 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.8 tp -129.91 107.02 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.714 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -104.19 132.94 49.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.958 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -111.15 112.26 23.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.937 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -104.48 134.6 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.3 mm -112.54 111.98 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.139 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.51 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.3 mmm -62.62 97.73 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.783 0.325 . . . . 0.0 110.327 179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.484 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.4 p -103.67 164.55 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.484 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.03 -158.57 23.6 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.628 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -65.83 -51.12 61.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 110.811 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.05 -10.81 1.6 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.385 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.72 64.78 0.32 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.501 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.9 t -126.57 -45.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.88 41.85 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.628 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.5 mtmt -54.36 -28.36 42.57 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.641 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.554 ' O ' ' HB ' ' A' ' 31' ' ' THR . 82.7 p -82.54 -28.32 31.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.073 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.49 -52.66 64.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.352 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -63.29 -24.96 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.554 ' HB ' ' O ' ' A' ' 28' ' ' SER . 84.5 m -66.72 -53.44 33.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.557 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.46 -40.88 85.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.578 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 14.3 mm100 -57.2 -38.03 73.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 111.199 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -72.77 -25.57 61.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.323 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.2 tpp -81.99 -49.79 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.238 0.829 . . . . 0.0 113.238 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -111.41 -7.68 14.35 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.0 m-20 57.73 30.59 19.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.931 0.396 . . . . 0.0 110.604 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -148.42 137.84 22.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.728 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -77.18 106.03 8.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.821 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -129.09 143.49 41.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -82.85 101.98 11.33 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -159.68 143.44 14.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -155.64 138.86 15.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.76 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -146.82 109.56 4.07 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.018 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -57.64 142.44 95.74 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.373 2.048 . . . . 0.0 112.005 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -132.18 153.26 50.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.323 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -106.56 -28.84 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.829 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -163.02 -4.59 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.406 ' H ' ' H ' ' A' ' 48' ' ' ALA . 8.5 m-20 -72.54 133.68 44.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.772 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.4 t -128.36 174.45 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.02 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 53.7 m-85 -106.85 145.66 31.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.247 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -142.76 142.08 31.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.103 0.478 . . . . 0.0 111.448 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -159.35 146.92 17.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.448 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.412 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 99.4 mttt -86.64 127.7 34.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.978 0.418 . . . . 0.0 111.544 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -138.33 144.8 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.677 179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.638 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.8 p -79.43 144.41 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.5 tp -136.98 100.82 4.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.688 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 55.16 31.32 16.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.75 -38.22 3.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.687 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.38 113.99 26.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.638 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 36.0 tt0 -71.39 114.89 9.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.36 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.25 140.56 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.684 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 26.5 mt-30 -80.7 129.86 34.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.8 tt -107.77 133.44 52.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.8 t70 -118.01 119.5 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.495 HG21 HG23 ' A' ' 31' ' ' THR . 73.3 mt -107.79 115.93 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.956 0.408 . . . . 0.0 110.932 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 tp -122.27 124.15 43.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.113 -179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.77 149.76 18.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.519 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.2 m -126.56 -85.28 0.61 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.392 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.64 -166.44 0.32 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.097 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -63.58 95.72 0.16 Allowed Glycine 0 C--N 1.332 0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.24 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.546 ' HB2' ' HG2' ' A' ' 79' ' ' ARG . 85.0 mt -87.94 19.4 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.742 0.306 . . . . 0.0 111.256 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -72.47 -8.04 52.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.093 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -67.54 -46.92 71.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.027 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -68.59 -172.27 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.15 -53.86 7.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.378 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.99 31.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.086 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm -61.04 -17.45 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.546 ' HG2' ' HB2' ' A' ' 72' ' ' LEU . 81.7 mtm180 -51.08 -40.02 57.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -55.03 -38.18 67.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -58.65 -39.6 81.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.321 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -76.35 -36.85 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.452 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -71.8 -16.58 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.329 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -83.91 -22.66 31.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.2 m -90.51 8.08 35.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.693 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -131.03 132.31 6.78 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.277 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.82 -51.5 10.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.718 0.294 . . . . 0.0 111.061 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.639 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -95.3 164.21 24.46 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.676 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -136.2 141.65 44.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.331 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 124' ' ' LEU . 15.6 mt -124.64 103.99 8.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.041 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -82.31 127.6 33.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.119 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.88 136.33 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.119 0.485 . . . . 0.0 112.045 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.625 ' HA ' HG21 ' A' ' 25' ' ' VAL . 26.3 p90 -147.25 141.35 26.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.152 178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 t -78.71 143.11 36.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.941 0.401 . . . . 0.0 111.256 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.693 HG12 ' HB3' ' A' ' 129' ' ' LYS . 25.5 pt -73.65 -32.79 36.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.768 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.3 p -76.03 -0.49 21.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.666 179.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -131.56 93.86 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -63.28 -16.95 61.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -73.39 -26.48 61.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.181 0.515 . . . . 0.0 110.252 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -69.48 -52.02 30.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.434 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -56.52 -35.87 68.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.996 0.427 . . . . 0.0 111.528 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 72.6 p -71.98 -53.68 12.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.83 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.003 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.618 ' HB ' HD11 ' A' ' 91' ' ' LEU . 9.9 p -55.72 -31.87 62.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.636 179.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.31 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.087 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.86 -46.63 74.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.967 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -57.84 -33.53 68.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.212 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -51.59 -43.0 62.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.747 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.18 -38.01 72.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.202 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -62.45 -28.54 69.89 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.78 -36.17 54.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.245 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.38 -25.28 66.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.238 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -50.8 -51.04 54.57 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.6 m -69.12 -12.99 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 111.61 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.647 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.7 mmtt -128.94 52.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.497 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.65 -37.53 28.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.616 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.28 -51.23 69.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.414 . . . . 0.0 110.321 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 59.37 107.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.111 179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -131.86 -47.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.597 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.459 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 34.2 mmtp -148.31 76.03 1.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.596 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 35.9 mm -77.29 114.46 40.52 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.992 -178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.494 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -88.09 126.27 2.0 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.783 2.322 . . . . 0.0 112.056 179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 67.6 tp -146.61 162.85 37.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.727 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.483 ' HB3' HD23 ' A' ' 90' ' ' LEU . 43.0 tp -161.43 113.64 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.072 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.784 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -84.17 143.21 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.205 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 168' ' ' VAL . 13.2 t -148.91 153.15 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.899 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.02 127.46 5.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.003 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -96.56 -164.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.585 0.231 . . . . 0.0 110.456 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.693 ' HB3' HG12 ' A' ' 95' ' ' ILE . 9.6 tppt? 65.62 12.89 8.57 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.062 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.63 -14.86 9.34 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.54 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.37 -8.89 9.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.94 0.4 . . . . 0.0 110.648 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.503 HD13 ' HD2' ' A' ' 135' ' ' ARG . 34.8 mt -121.21 74.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.583 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.62 -25.11 66.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.989 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -85.8 -6.34 59.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.002 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.503 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.3 mtt180 -118.15 8.16 12.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.432 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.473 HH22 ' HG2' ' A' ' 156' ' ' GLU . 12.0 ttm180 -73.29 108.16 6.01 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.836 0.35 . . . . 0.0 110.485 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.18 -31.72 33.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.392 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 51.2 t -98.87 107.08 41.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.377 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -57.56 131.13 42.56 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 121.994 1.796 . . . . 0.0 111.33 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -49.2 -45.91 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.361 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -55.24 -49.47 71.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.778 0.323 . . . . 0.0 111.127 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.17 -29.88 71.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.808 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.7 -29.69 61.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 89.3 mtt180 -77.56 -38.12 49.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -62.29 -43.98 97.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.503 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.5 -48.6 32.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.834 0.349 . . . . 0.0 110.993 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.784 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.71 -28.83 68.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.553 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -63.17 -32.18 73.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -51.99 -38.69 57.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -71.92 -24.69 61.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.8 7.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.409 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 21.7 m -124.25 -176.65 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.029 0.442 . . . . 0.0 111.661 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -126.94 136.32 52.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.286 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.639 ' HA ' HG13 ' A' ' 125' ' ' VAL . 75.4 t80 -94.84 134.55 37.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.143 0.497 . . . . 0.0 111.973 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.7 p -128.63 155.08 40.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.473 ' HG2' HH22 ' A' ' 136' ' ' ARG . 37.1 mt-10 -88.61 144.86 26.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.811 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.9 p -151.94 170.95 18.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 121.036 0.445 . . . . 0.0 111.853 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 37.9 t -150.73 115.28 5.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.417 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -70.54 0.43 6.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -99.85 -46.0 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 54.2 p -91.28 -4.41 55.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.409 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.429 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 35.41 38.25 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.528 0.518 . . . . 0.0 111.752 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.94 -52.28 9.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.872 -179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.19 13.7 21.79 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.838 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.9 p -63.54 -36.07 74.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.502 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.73 -27.28 61.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 38.4 tptt -60.29 -31.21 70.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.579 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.573 HG11 HG11 ' A' ' 126' ' ' VAL . 2.5 m -74.57 -36.71 42.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.754 0.311 . . . . 0.0 111.385 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -75.33 -37.62 60.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -71.73 -49.96 34.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.997 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -55.21 -48.94 73.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.314 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.5 tm? -60.28 -41.1 92.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.013 179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.436 ' HB2' ' HE3' ' A' ' 173' ' ' MET . 44.5 ttm -56.74 -46.13 81.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.061 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.46 ' HG2' HD11 ' A' ' 57' ' ' LEU . 89.4 mtm180 -69.62 -40.2 76.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.75 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.29 -35.08 76.34 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.639 HD11 ' HA3' ' A' ' 88' ' ' GLY . 97.3 mt -72.93 -54.68 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.719 0.295 . . . . 0.0 111.73 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 7.3 ppt_? -60.6 -26.25 66.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.622 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.8 m -87.41 -59.26 2.3 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.459 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 50.9 tttp -70.67 -53.94 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 -178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.6 tttp -61.15 -59.17 5.76 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.6 mmt -57.38 -13.92 4.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.767 -179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 46.9 t -68.98 -60.73 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.686 0.279 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 61.13 111.48 0.02 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.395 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -130.93 121.26 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.968 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.864 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.443 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.31 151.02 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.0 tp -123.51 105.87 10.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.205 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -104.52 114.19 28.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.662 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -101.62 107.63 18.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.379 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.66 139.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.748 179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.421 HD11 ' HA3' ' A' ' 86' ' ' GLY . 21.0 mm -106.34 141.88 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.089 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 tpt -91.55 87.69 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.477 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -97.7 162.19 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.665 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.51 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 173.57 -160.57 30.9 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.653 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 84.4 p -61.72 -37.99 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.806 0.336 . . . . 0.0 110.829 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' H ' ' HZ1' ' A' ' 27' ' ' LYS . . . 127.25 -5.12 7.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.502 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.14 82.72 0.08 OUTLIER Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.592 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 93' ' ' PHE . 10.9 m -140.95 -33.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.8 0.333 . . . . 0.0 111.217 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.3 45.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.409 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.496 ' HZ1' ' H ' ' A' ' 23' ' ' GLY . 52.5 mttp -55.93 -43.73 77.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.004 0.431 . . . . 0.0 111.162 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.522 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.1 p -62.47 -29.09 70.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.282 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.069 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.593 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.9 mm? -63.8 -24.57 67.81 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.1 m -67.12 -48.95 66.54 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.173 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.57 -44.46 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -54.46 -35.97 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 111.631 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -72.36 -30.11 64.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.435 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 27.2 ttm -82.43 -49.53 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -121.18 -10.34 9.0 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' HB3' ' HD3' ' A' ' 162' ' ' ARG . 9.0 m-20 59.94 29.84 19.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -124.68 127.33 47.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.325 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -83.16 113.82 20.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.4 t -124.12 141.15 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.83 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.1 -52.03 32.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -61.2 128.96 38.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -119.34 158.61 25.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.734 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -107.91 124.8 33.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.64 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.46 144.39 73.17 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.215 1.943 . . . . 0.0 112.362 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -117.14 117.53 29.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -111.77 -39.08 4.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.89 4.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.075 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -93.74 132.41 38.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.738 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.8 m -112.3 163.51 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 56.8 m-85 -103.37 152.82 21.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.378 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -137.39 144.06 42.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.956 0.407 . . . . 0.0 111.258 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -157.8 158.14 34.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.38 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 mtmp? -110.21 124.12 51.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 111.337 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.38 142.61 36.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.694 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.646 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.5 p -98.47 146.2 8.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.023 0.439 . . . . 0.0 111.911 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD11 ' SD ' ' A' ' 173' ' ' MET . 56.3 mt -123.72 94.65 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.3 t70 54.9 30.88 14.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.464 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 124.88 -54.17 0.75 Allowed Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.468 -0.872 . . . . 0.0 113.519 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -80.09 118.67 22.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 111.801 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.646 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -92.35 131.37 37.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.98 154.89 40.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -84.62 142.51 29.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.249 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.6 tt -115.32 145.4 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.764 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 20.1 t70 -136.27 113.67 10.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.021 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 72.8 mt -106.43 137.3 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.202 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.43 106.02 7.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.362 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.32 131.23 34.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 77.2 p -107.76 123.42 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.5 -159.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.89 91.51 1.74 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.554 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -84.13 20.65 1.53 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.818 0.342 . . . . 0.0 110.77 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.44 -20.81 48.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.55 -39.97 93.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -87.37 179.88 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.06 -54.14 9.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.36 71.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.006 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 46.9 mm -85.46 -19.84 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -54.73 -30.02 55.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.284 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -53.81 -32.57 53.2 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.054 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -72.99 -35.8 66.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.213 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -65.78 -26.91 67.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -81.75 -18.51 43.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HE ' HG12 ' A' ' 114' ' ' VAL . 29.7 ttm180 -83.95 -20.66 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.951 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.5 p -94.34 13.23 24.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.041 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.421 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -135.84 171.73 22.58 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.575 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -113.4 -53.71 2.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.767 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.648 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -92.2 163.13 27.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -138.39 136.87 36.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.334 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -122.0 106.09 10.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.668 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.563 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -83.28 96.12 8.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.244 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.696 HG23 HG13 ' A' ' 126' ' ' VAL . 13.7 p -109.29 134.56 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.982 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.7 p90 -143.24 -175.12 4.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.849 179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.2 m -119.66 146.87 45.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.542 HD13 ' HE ' ' A' ' 136' ' ' ARG . 5.6 pt -78.72 -34.21 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 59.1 p -59.39 -20.48 55.2 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.369 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -123.13 104.18 9.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -63.05 -19.64 64.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.93 -25.88 62.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.439 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.548 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 16.4 m -66.48 -53.38 35.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.313 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -58.85 -35.45 72.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.07 0.462 . . . . 0.0 111.245 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -71.61 -52.61 17.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.491 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.79 -37.83 83.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.563 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.1 p -57.3 -38.25 73.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.124 0.488 . . . . 0.0 110.635 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.23 -31.33 71.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.02 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -68.17 -44.78 75.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.409 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 9.9 m-85 -59.03 -25.01 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.209 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.461 ' HA ' HD12 ' A' ' 111' ' ' ILE . 18.3 ttt180 -50.4 -37.48 37.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.321 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -70.67 -46.45 63.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.424 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 107' ' ' PHE . 1.9 mp0 -56.43 -25.26 49.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.114 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' A' ' 108' ' ' ARG . 93.5 mt -67.21 -45.05 87.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.038 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.87 -26.55 66.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.735 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.1 mmt180 -52.41 -50.53 62.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.55 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.615 HG23 ' HG2' ' A' ' 115' ' ' LYS . 11.7 m -70.57 -38.92 75.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.753 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.615 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -98.89 37.47 1.51 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.868 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.86 -26.81 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.462 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -90.12 -25.0 20.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.591 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.8 tp10 -83.49 141.9 31.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.986 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -90.19 -60.52 1.91 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.85 123.06 23.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.721 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.401 ' HA ' ' HD2' ' A' ' 122' ' ' PRO . 41.8 mm -123.03 104.97 35.03 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.217 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.521 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 28.4 Cg_endo -63.02 123.45 12.25 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.324 2.016 . . . . 0.0 111.91 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 62.8 tp -145.81 159.54 43.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.96 0.409 . . . . 0.0 111.274 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.0 tp -160.83 128.65 4.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.475 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.636 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.6 p -101.7 142.53 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.696 HG13 HG23 ' A' ' 92' ' ' VAL . 14.3 p -151.63 151.83 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -129.39 115.39 1.92 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 157' ' ' THR . 35.5 p30 -79.4 -160.07 0.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.433 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 61.76 13.41 5.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.57 0.224 . . . . 0.0 111.205 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.446 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.1 t -57.74 -13.99 5.02 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.7 -5.41 15.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.042 0.449 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 44.4 mt -123.54 85.17 2.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.706 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.9 -39.63 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.317 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.0 -10.4 59.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.43 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.529 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 80.7 mtp180 -110.04 3.59 20.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.542 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.9 ttm180 -76.37 109.65 10.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.484 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -89.81 -27.64 19.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.483 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 75.9 t -94.04 104.44 13.37 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.292 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 21.5 Cg_endo -62.75 128.2 22.65 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.094 1.863 . . . . 0.0 111.468 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -48.32 -42.77 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.456 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -54.11 -49.59 68.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.5 -35.04 79.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.626 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.03 68.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.2 mtm180 -77.62 -31.23 52.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -65.58 -52.11 54.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.387 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.14 -47.39 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.57 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -60.22 -46.65 89.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.962 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -52.93 -32.61 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.346 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -51.86 -39.78 59.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.844 0.354 . . . . 0.0 110.452 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.421 ' NE1' ' HD2' ' A' ' 108' ' ' ARG . 8.9 m0 -73.67 -24.9 60.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.548 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.24 16.5 13.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.928 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.6 m -113.62 174.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.091 0.472 . . . . 0.0 111.462 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -120.07 141.95 49.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.772 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.636 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.9 t80 -102.84 140.73 36.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 111.415 -179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.9 p -140.19 155.03 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.201 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -90.98 147.23 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.673 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 26.6 p -148.48 169.0 21.22 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.989 0.423 . . . . 0.0 111.482 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 68.8 m -141.16 111.68 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.597 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.94 -0.45 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.236 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.3 tptm -99.18 -41.56 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.859 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -94.27 -7.51 41.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.401 ' HD3' ' HB3' ' A' ' 37' ' ' ASP . 6.7 ppt_? 35.99 36.52 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.233 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.85 -55.62 5.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.813 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -111.89 18.08 19.17 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 30' ' ' LEU . 7.5 p -66.61 -42.25 89.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.716 0.293 . . . . 0.0 110.897 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.407 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.1 -14.75 61.45 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -58.73 -39.85 82.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.589 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -76.85 -26.84 16.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 111.771 0.286 . . . . 0.0 111.771 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -72.83 -45.6 57.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.713 0.292 . . . . 0.0 110.694 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -72.04 -32.2 66.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.25 -51.22 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 172' ' ' LEU . 1.2 tm? -60.49 -36.9 79.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.278 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.486 ' SD ' HD11 ' A' ' 57' ' ' LEU . 44.4 ttm -57.65 -44.44 85.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -69.59 -37.38 76.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -59.2 -51.02 71.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.648 HD11 ' HA3' ' A' ' 88' ' ' GLY . 73.1 mt -58.11 -31.94 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.272 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -73.54 -53.07 11.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.681 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.4 m -87.72 -58.92 2.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -58.02 -53.92 52.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 64.9 tttm -64.88 -54.89 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 51.3 mtt -61.41 -17.94 56.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.509 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.5 t -63.55 -57.03 11.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.733 0.302 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 61.22 174.94 0.11 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -55.61 -64.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.102 179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 137.9 31.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.3 tp -120.45 107.47 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -104.31 139.25 39.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.6 ' HB2' ' HA2' ' A' ' 86' ' ' GLY . 61.1 mttm -124.49 115.9 21.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.291 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -106.1 133.19 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.277 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG12 ' HA3' ' A' ' 86' ' ' GLY . 23.7 mm -109.71 114.58 47.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.079 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.472 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 93.6 mmm -65.18 96.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.9 p -100.65 167.13 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.749 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 175.05 -156.53 22.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.723 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 28.7 t -61.52 -41.3 97.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.958 -179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.77 -6.57 4.14 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.471 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.7 40.48 0.3 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.282 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 22' ' ' SER . 79.3 t -95.47 -50.31 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.635 0.255 . . . . 0.0 111.361 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.61 37.6 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.506 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.472 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.4 mttt -48.98 -34.91 14.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.449 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 65.5 p -80.87 -28.78 35.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.807 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.56 -53.27 60.04 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.648 -178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.5 mm? -63.33 -24.49 67.87 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 44.3 m -67.46 -56.06 11.1 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.892 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.54 -40.59 75.37 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.292 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 12.8 mm100 -59.41 -42.57 92.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.987 0.423 . . . . 0.0 111.223 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -73.81 -31.9 63.48 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 93.4 mmm -81.6 -50.35 9.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -124.85 -6.97 7.3 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.6 t70 58.1 77.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.014 0.435 . . . . 0.0 110.804 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -168.01 130.77 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -80.93 109.22 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.272 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.9 t -125.64 145.61 32.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.65 -25.86 7.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.36 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.08 163.27 12.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 t80 57.36 101.22 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.51 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -153.33 73.07 6.88 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.769 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.0 126.43 9.32 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.598 2.198 . . . . 0.0 112.579 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.5 m -136.92 105.96 5.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -121.85 -67.03 0.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -162.82 -5.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.078 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.09 127.71 33.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.5 p -111.13 165.83 11.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -104.19 159.14 15.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.175 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -148.79 144.43 26.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -168.56 136.01 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.639 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 122.27 26.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.65 141.07 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.567 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 9.0 p -76.1 139.45 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.1 tp -147.09 113.27 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 t70 58.44 31.54 21.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.311 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.07 -32.16 5.83 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.555 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -94.69 115.14 27.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.811 0.339 . . . . 0.0 110.833 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 42.3 tt0 -74.85 114.19 13.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.034 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.2 m -121.77 145.97 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -81.05 134.21 35.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -106.27 138.92 29.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.021 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.577 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.4 t70 -126.27 113.64 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.409 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.6 mt -113.34 149.7 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 111.614 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.475 HD13 ' H ' ' A' ' 69' ' ' THR . 2.1 tm? -130.12 122.09 27.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.902 179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -46.35 -57.71 4.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.867 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.475 ' H ' HD13 ' A' ' 67' ' ' LEU . 24.4 m 65.04 101.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.138 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.16 -169.83 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.3 86.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.439 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 pp -98.39 26.7 5.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.91 -177.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.498 ' H ' HH21 ' A' ' 79' ' ' ARG . 7.3 m-20 60.48 -147.32 0.45 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.666 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 65.45 173.17 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.969 0.414 . . . . 0.0 111.251 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.33 -54.06 9.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.571 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.81 22.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.534 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.447 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 60.8 mt -57.43 -19.48 11.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.935 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.498 HH21 ' H ' ' A' ' 74' ' ' ASP . 89.6 mtt180 -53.98 -45.55 71.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.72 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.83 -36.79 82.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.925 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 89.2 m-20 -56.3 -39.84 73.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.406 -179.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -68.81 -38.76 80.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.339 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB2' HG11 ' A' ' 114' ' ' VAL . 24.0 m-85 -68.46 -20.61 64.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.998 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -79.44 -6.86 57.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -93.14 0.19 57.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.6 ' HA2' ' HB2' ' A' ' 16' ' ' LYS . . . -149.32 150.1 22.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.12 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 39.7 mt-10 -85.86 -47.39 9.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.872 0.368 . . . . 0.0 110.607 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.02 166.09 33.5 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.452 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -139.55 136.25 34.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.352 . . . . 0.0 111.138 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.1 mt -118.9 102.17 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.704 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.81 114.39 21.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.222 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 126' ' ' VAL . 85.2 t -121.84 139.16 49.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HB3' HG21 ' A' ' 104' ' ' THR . 17.6 p90 -146.9 154.76 41.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.94 178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.46 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 75.0 m -94.17 134.26 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 111.272 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.411 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 33.4 pt -65.91 -21.32 28.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.526 179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 HD12 ' A' ' 132' ' ' LEU . 24.4 p -81.0 -47.63 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.008 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.67 101.79 11.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.516 ' O ' HG22 ' A' ' 102' ' ' THR . 58.7 t-80 -62.7 -18.14 61.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.24 -26.91 60.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 110.734 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 24.1 m -70.4 -53.87 14.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.531 -178.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -53.26 -44.14 67.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.883 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 98' ' ' HIS . 2.5 t -72.46 -53.1 13.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.423 ' H ' HG23 ' A' ' 102' ' ' THR . . . -57.47 -41.73 81.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.852 0.358 . . . . 0.0 111.43 -179.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.704 ' HB ' HD21 ' A' ' 91' ' ' LEU . 9.6 p -54.96 -34.69 63.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.199 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.01 71.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.46 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -68.23 -45.21 73.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -59.21 -25.05 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.309 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -49.3 -49.86 41.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.281 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.63 -29.45 65.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.381 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.63 -27.58 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.03 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.14 -40.18 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.474 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.4 -26.65 66.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.628 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.2 mmm180 -50.93 -51.14 55.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.83 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 83' ' ' PHE . 13.5 m -69.5 -52.12 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.985 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.6 mmtt -85.98 39.36 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.969 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -6.8 34.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.373 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.49 -18.55 18.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.084 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -93.99 145.15 24.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.993 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -91.24 -37.93 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.555 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -99.65 105.24 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.221 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 23.6 mm -99.78 105.28 33.47 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.424 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.24 122.75 10.57 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.299 1.999 . . . . 0.0 111.897 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -140.48 155.06 46.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 50.0 tp -162.39 122.94 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.11 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 147' ' ' ALA . 4.6 p -97.63 143.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.151 0.501 . . . . 0.0 111.826 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 168' ' ' VAL . 22.0 t -139.99 127.21 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.307 179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.99 123.55 7.87 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.917 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -93.3 -168.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.46 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 70.1 mmtt 58.92 18.23 6.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.68 0.276 . . . . 0.0 110.872 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.4 m -65.41 -12.67 54.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -78.34 9.64 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 30.0 mt -128.33 82.02 2.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -72.74 -28.14 62.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.183 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -84.67 -40.65 17.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 78.6 mtp180 -78.92 0.18 28.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.411 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 39.3 ttm180 -64.47 111.77 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -87.75 -33.18 18.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.528 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.0 t -105.58 117.15 58.76 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.473 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.57 124.51 14.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 121.794 1.662 . . . . 0.0 111.421 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.7 p -51.44 -43.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.184 -179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.0 -41.11 97.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.919 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -63.23 -38.28 90.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.667 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -63.37 -28.59 70.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.779 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -72.57 -34.28 67.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.185 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -65.79 -53.25 42.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.444 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.565 ' HZ3' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -61.81 -47.49 84.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 -179.443 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -60.27 -47.29 86.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -51.4 -31.69 23.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.528 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 151' ' ' GLY . 20.0 mm-40 -51.97 -43.21 63.45 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.565 ' HE1' ' HZ3' ' A' ' 146' ' ' LYS . 7.4 m0 -71.03 9.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 149' ' ' GLU . . . 68.95 25.88 75.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.272 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 150' ' ' TRP . 20.0 m -121.72 162.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 111.638 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -104.46 126.02 51.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.074 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.482 ' HA ' HG13 ' A' ' 125' ' ' VAL . 19.0 t80 -95.36 130.42 42.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.985 0.422 . . . . 0.0 111.104 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 66.3 t -123.52 150.23 27.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.23 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -89.42 139.92 30.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.636 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.489 HG22 ' HB3' ' A' ' 164' ' ' ASN . 40.3 p -146.9 166.44 26.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.104 0.478 . . . . 0.0 111.657 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.438 ' HB3' ' OG1' ' A' ' 161' ' ' THR . 36.3 t -139.51 112.58 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.997 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.49 -6.3 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.845 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -96.9 -34.95 11.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.727 0.298 . . . . 0.0 111.215 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.438 ' OG1' ' HB3' ' A' ' 158' ' ' SER . 58.6 p -97.96 -9.04 26.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.307 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.467 ' HB3' HE21 ' A' ' 33' ' ' GLN . 3.5 ppt_? 34.08 41.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.641 0.588 . . . . 0.0 111.853 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.55 -55.62 5.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.364 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.489 ' HB3' HG22 ' A' ' 157' ' ' THR . 1.0 OUTLIER -111.97 12.55 20.74 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -178.761 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 168' ' ' VAL . 46.5 t -64.68 -46.82 91.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.672 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -73.29 -15.18 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.832 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.408 ' HD2' ' ND2' ' A' ' 164' ' ' ASN . 5.9 tmtm? -69.14 -45.34 70.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.354 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.563 HG21 HG21 ' A' ' 126' ' ' VAL . 35.1 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.482 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.413 ' O ' ' HG3' ' A' ' 173' ' ' MET . 14.3 m-85 -66.53 -47.5 72.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.509 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -68.52 -35.14 77.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.767 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.454 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 19.2 t70 -62.46 -31.94 72.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.438 ' HA ' ' HG2' ' A' ' 175' ' ' GLU . 57.5 tp -72.53 -47.15 50.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.401 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 169' ' ' PHE . 28.8 mtm -55.39 -35.82 65.73 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 120.743 0.306 . . . . 0.0 111.509 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 74.8 mtm180 -69.76 -47.91 61.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.566 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 172' ' ' LEU . 11.4 pt-20 -67.76 -25.36 65.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.54 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 79.1 mt -71.18 -55.11 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.341 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 181' ' ' MET . 61.3 mtp180 -59.44 -28.78 67.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 85.5 m -86.85 -59.16 2.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 182' ' ' SER . 82.5 tttt -70.9 -53.95 13.22 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 62.8 tttm -58.29 -52.97 63.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -65.88 -15.34 62.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.638 -179.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 35.4 t -63.56 -60.74 2.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 111.107 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 58.92 -178.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.188 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -138.26 104.88 5.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.027 -179.837 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.427 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.79 158.24 28.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.801 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.1 tp -123.99 113.98 19.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -110.49 154.14 24.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.781 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.38 141.26 52.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.21 -179.726 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.568 ' HB ' HG12 ' A' ' 66' ' ' ILE . 2.1 t -132.38 115.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.807 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.7 mm -99.46 106.23 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.928 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.625 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 78.6 mmm -59.94 91.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.204 179.474 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 21' ' ' GLY . 13.7 p -98.84 159.71 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.193 -179.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -174.66 -161.29 24.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.41 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 80.0 p -60.2 -40.54 90.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.416 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 122.08 36.98 0.68 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.308 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.96 39.01 0.02 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.578 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.599 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.6 t -99.66 -73.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.13 43.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.145 -179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.2 OUTLIER -53.67 -46.78 70.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.224 -179.84 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.8 p -51.0 -29.91 13.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.519 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.11 -52.72 62.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.29 -179.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.798 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -66.07 -25.11 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.826 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 28' ' ' SER . 27.4 m -65.49 -46.43 79.77 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.052 -0.976 . . . . 0.0 111.057 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.33 -44.43 65.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.359 -179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.496 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.6 mm100 -56.99 -41.79 79.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 111.278 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -72.54 -25.01 61.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.785 0.326 . . . . 0.0 111.517 179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.8 ttm -81.46 -46.01 15.18 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -123.86 -7.09 7.88 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 -178.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.9 m-20 58.4 44.17 18.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.111 0.481 . . . . 0.0 110.597 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -154.11 127.53 8.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -78.8 124.05 27.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.023 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.44 143.19 38.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.55 179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -80.73 18.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -116.36 175.96 5.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -158.42 -176.91 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.746 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -144.85 134.2 11.36 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.98 151.4 35.17 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.491 2.127 . . . . 0.0 112.233 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -68.58 103.11 1.61 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -97.84 27.11 4.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.794 179.776 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.86 15.38 8.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.296 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -107.77 131.28 54.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -87.49 175.15 8.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.244 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.474 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER -123.87 154.98 38.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.572 -179.885 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 80.9 mtm180 -142.38 145.4 33.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.386 179.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.446 ' HB2' ' HE1' ' A' ' 51' ' ' TYR . 39.2 ttpt -151.16 154.64 37.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.843 -179.847 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -98.77 128.97 45.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.278 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -141.57 146.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.456 179.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.5 p -106.78 141.32 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.951 0.405 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -135.84 103.67 5.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 56.18 31.21 17.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.232 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.47 -46.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.064 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.85 114.05 15.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 111.17 -179.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.597 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.0 tt0 -91.34 114.15 26.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.7 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.41 163.18 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.307 -179.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -99.9 139.69 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.025 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 13.6 tt -110.12 139.96 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.762 179.605 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 10.5 t70 -131.01 122.59 27.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.089 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG12 ' HB ' ' A' ' 17' ' ' VAL . 92.2 mt -125.71 128.54 72.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.918 0.389 . . . . 0.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -101.2 112.66 25.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.528 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.61 140.27 42.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.656 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 t -161.85 150.31 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.29 -176.57 2.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.88 109.16 1.89 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.335 179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 74.6 mt -64.2 -12.91 45.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.058 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.57 -24.72 61.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -66.09 -24.53 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.245 -179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -85.12 155.36 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.875 179.771 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.35 -51.19 12.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.294 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.45 1.45 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.182 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mt -64.13 -16.72 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.017 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.538 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 62.1 mtm180 -51.48 -40.96 60.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.179 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.84 -31.77 63.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.469 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -62.05 -36.84 82.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.897 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -77.61 -41.7 37.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -68.47 -26.5 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.761 0.315 . . . . 0.0 111.056 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -73.43 -15.97 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.014 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.8 m -104.99 9.65 34.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.167 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.16 138.81 12.81 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.767 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -86.44 -54.79 4.22 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.58 158.7 20.37 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.448 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -134.29 135.96 43.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.594 0.235 . . . . 0.0 110.829 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -125.55 105.28 8.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.843 179.489 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD11 ' HB ' ' A' ' 104' ' ' THR . 11.7 tp -82.23 119.28 23.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.668 0.271 . . . . 0.0 110.281 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.469 HG13 ' HB ' ' A' ' 126' ' ' VAL . 8.8 t -133.29 138.87 50.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.959 0.409 . . . . 0.0 111.902 -179.126 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.599 ' HA ' HG21 ' A' ' 25' ' ' VAL . 12.8 p90 -145.27 171.02 15.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.345 178.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.4 ' OG ' HG13 ' A' ' 25' ' ' VAL . 56.0 m -107.68 137.94 44.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 111.249 -179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.472 HD13 ' HE ' ' A' ' 136' ' ' ARG . 17.6 pt -64.99 -35.79 76.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.345 179.209 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 71.3 p -66.97 -14.34 62.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.488 179.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -119.62 87.15 2.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.709 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -63.13 -16.44 60.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -73.47 -26.48 60.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.6 -179.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -71.49 -50.35 32.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.859 -179.248 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -50.76 -33.6 23.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.381 . . . . 0.0 111.934 -179.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -72.78 -53.76 10.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.818 -179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.4 -36.38 83.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.753 -179.771 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.6 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.6 p -58.1 -33.13 68.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.2 -29.77 68.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.854 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.19 -49.78 40.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -53.62 -30.64 43.65 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.001 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -50.23 -41.09 49.4 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.689 179.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -71.25 -45.95 62.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.546 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -56.4 -28.62 59.86 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.86 -43.0 87.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.905 0.383 . . . . 0.0 111.289 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.6 mt -67.71 -26.43 66.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.765 -179.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -53.35 -50.53 64.85 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.755 0.312 . . . . 0.0 111.766 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 10.3 m -70.59 -44.34 76.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.006 -179.102 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.1 mmtt -94.59 34.5 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.771 0.319 . . . . 0.0 111.019 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.18 -27.18 66.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.69 -32.87 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -80.37 168.99 18.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -120.43 -33.82 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.795 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.427 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 4.1 mptp? -93.13 106.66 18.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.527 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 27.4 mm -116.84 104.61 50.85 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.358 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD3' ' HE3' ' A' ' 180' ' ' LYS . 40.6 Cg_endo -66.94 132.07 27.23 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.333 2.022 . . . . 0.0 112.014 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.9 tp -148.49 155.2 40.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.008 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 90' ' ' LEU . 28.9 tp -162.24 129.23 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.285 179.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -95.25 141.69 14.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.945 0.402 . . . . 0.0 111.026 -179.803 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.469 ' HB ' HG13 ' A' ' 92' ' ' VAL . 21.7 t -137.11 151.87 27.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.186 -179.65 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -133.87 103.97 0.51 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.873 179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.1 p-10 -81.26 -166.22 1.11 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt 63.22 12.74 6.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.049 -179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -60.22 -14.3 16.97 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.323 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.17 -7.32 12.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.555 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HD2' ' A' ' 135' ' ' ARG . 55.6 mt -116.41 80.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.718 179.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -70.88 -17.18 62.73 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.47 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.9 pt-20 -93.48 -6.83 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.471 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.47 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.4 mtt180 -122.05 15.5 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.369 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.472 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.7 ttm180 -77.28 108.25 10.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.861 0.362 . . . . 0.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -84.97 -31.69 23.42 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.312 -179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 48.5 t -103.68 101.03 21.76 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.569 -179.618 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 11.6 Cg_endo -55.98 142.55 84.93 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.177 1.918 . . . . 0.0 111.208 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.3 p -55.34 -48.42 76.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.759 -179.253 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 140' ' ' VAL . 46.7 mt-10 -54.9 -49.71 70.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.544 -179.113 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.4 -36.41 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.757 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.1 67.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.569 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.2 mtt180 -77.61 -32.61 53.66 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.9 t -66.31 -46.84 75.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.432 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.41 -44.31 65.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.552 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -63.33 -41.19 98.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.552 -179.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.89 -31.68 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -51.03 -44.45 61.05 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.622 179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -70.28 -23.0 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.815 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.11 28.62 5.48 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.19 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.9 m -125.15 -178.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.197 0.523 . . . . 0.0 111.658 -179.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -125.34 145.3 50.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.61 178.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.2 t80 -107.31 137.65 44.96 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.315 0.578 . . . . 0.0 111.814 -179.033 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 47.4 t -132.13 149.83 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -89.01 143.0 27.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 70.7 p -143.89 165.45 27.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.478 -179.195 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 45.1 p -146.0 110.92 5.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.552 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.75 -4.3 3.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.814 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -89.89 -54.52 4.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 27.8 p -94.03 1.43 56.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.313 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.496 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 32.31 48.93 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.9 -179.867 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.72 -56.03 4.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.094 -179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -111.99 11.63 20.61 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -179.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.516 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.8 p -63.52 -43.19 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.795 179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 7.3 m-20 -73.86 -21.96 59.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.433 . . . . 0.0 110.676 179.364 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.41 ' O ' ' HD2' ' A' ' 167' ' ' LYS . 34.1 tptt -65.04 -41.97 94.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.706 -179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 165' ' ' VAL . 13.7 m -69.99 -27.25 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.794 0.33 . . . . 0.0 111.706 -178.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -75.28 -47.71 26.65 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -70.21 -41.44 73.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.419 -179.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.36 -42.63 92.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.33 -32.41 68.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.5 ttm -62.47 -48.73 78.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.166 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.9 -36.37 76.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -62.07 -31.05 71.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.661 179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.481 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 86.4 mt -72.84 -54.48 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -52.18 -36.35 51.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.7 m -86.74 -58.95 2.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.069 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.427 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 83.8 tttt -70.41 -54.76 11.1 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -178.075 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 4.7 tppp? -57.33 -47.02 82.63 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.0 mmt -72.6 -13.0 61.28 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.552 0.204 . . . . 0.0 111.552 -179.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.0 t -64.81 -60.91 2.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.734 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 59.16 -178.18 0.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.186 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -112.43 -11.41 13.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.3 pttm . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.068 -179.74 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.5 mp . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.36 141.9 44.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 HE21 ' A' ' 63' ' ' GLN . 1.8 tm? -107.63 107.18 17.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.76 122.72 46.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.813 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -105.11 117.94 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.988 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.06 134.18 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.552 HD11 ' HA3' ' A' ' 86' ' ' GLY . 28.4 mm -99.02 131.84 45.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.544 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.5 tpt -85.15 95.67 9.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.514 179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.564 ' HB ' ' HA ' ' A' ' 91' ' ' LEU . 1.9 t -83.89 167.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.0 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 20' ' ' VAL . . . 173.53 169.17 35.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.695 179.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 12.9 t -58.48 -67.44 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.118 0.485 . . . . 0.0 110.688 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.99 -28.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.118 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.2 39.34 1.25 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.965 -0.635 . . . . 0.0 112.425 179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' HB3' ' A' ' 22' ' ' SER . 74.9 t -88.06 -62.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.687 0.279 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.42 43.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.726 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptpp? -54.64 -37.35 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.028 0.442 . . . . 0.0 110.875 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' A' ' 31' ' ' THR . 69.7 p -66.95 -30.0 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.119 179.701 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -61.61 -52.44 64.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 -179.242 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.609 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.7 mm? -60.17 -24.65 64.92 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 178.095 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.1 m -74.09 -44.33 54.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.789 -179.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -70.68 -38.95 73.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.409 -179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 16.2 mm100 -59.12 -37.85 78.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.976 -179.679 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -72.67 -25.32 61.22 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.478 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 tpp -82.02 -49.61 10.05 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -108.51 -10.37 15.27 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -178.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.0 t70 60.03 31.99 20.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.009 0.433 . . . . 0.0 110.519 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.08 151.94 37.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.773 -179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -90.39 105.98 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.8 t -133.46 151.12 32.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.978 -179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -112.92 117.39 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -134.62 -40.25 0.79 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 71.8 t80 59.16 99.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -143.21 98.88 5.47 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.963 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -57.7 157.68 22.72 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.474 2.116 . . . . 0.0 112.094 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.609 HG21 ' H ' ' A' ' 69' ' ' THR . 13.7 t -113.4 155.65 24.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.012 0.434 . . . . 0.0 111.418 -179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -126.13 -35.22 2.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.436 179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.435 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.65 -7.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.847 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' H ' ' H ' ' A' ' 48' ' ' ALA . 7.6 m-20 -80.51 133.68 35.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.9 p -130.0 176.58 7.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.018 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -104.85 149.6 25.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.941 -179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -144.01 129.66 19.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.892 179.442 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.41 139.95 15.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 60.9 mttp -85.64 126.62 34.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.134 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.0 m -134.72 137.29 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.917 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.529 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.9 p -67.41 132.45 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 ' HG2' ' A' ' 174' ' ' ARG . 55.1 tp -134.17 107.04 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 56.27 31.34 18.33 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.91 -29.63 12.07 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.734 179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.98 114.9 29.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 0.0 110.802 -179.812 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.529 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.1 tt0 -74.4 118.15 17.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.34 147.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.264 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.552 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 22.7 mt-30 -82.29 129.52 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.1 tt -108.88 138.1 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -120.19 113.81 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.764 -179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 54.4 mt -114.7 133.03 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 44.2 tp -108.92 134.51 51.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.774 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.6 -43.49 89.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.028 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.609 ' H ' HG21 ' A' ' 46' ' ' THR . 73.1 p 51.74 -172.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.433 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.5 -175.85 0.69 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.2 100.93 0.17 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.181 179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 65.6 mt -82.34 21.75 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.669 0.271 . . . . 0.0 111.369 -179.505 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -84.78 18.55 2.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.864 179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -110.09 -54.14 2.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.257 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -57.85 153.61 13.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.51 -53.85 7.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.13 -5.18 1.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.154 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mt -67.85 -19.85 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.804 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 11.3 ptp180 -59.01 -37.15 76.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.73 -31.36 69.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -53.93 -34.82 60.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -65.38 -45.63 83.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.304 -179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -65.78 -32.04 73.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.772 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -77.93 -7.95 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.103 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.0 m -96.66 5.97 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.086 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.552 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -138.94 167.05 25.25 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.575 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 41.4 mt-10 -106.86 -40.6 5.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.686 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -98.15 160.04 20.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.646 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -135.94 135.34 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.63 0.252 . . . . 0.0 110.786 -179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 124' ' ' LEU . 28.0 tp -130.28 106.37 8.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.974 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.7 tp -83.06 138.81 33.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.688 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' HB ' ' A' ' 126' ' ' VAL . 88.9 t -142.42 131.99 22.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.725 0.298 . . . . 0.0 111.621 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.499 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.2 p90 -138.32 158.07 45.01 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.541 178.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.3 t -99.03 144.07 28.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.95 0.405 . . . . 0.0 111.437 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 36.0 pt -77.26 -33.97 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.955 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 46.9 p -67.46 -10.62 53.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.018 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -132.18 99.89 4.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.72 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -62.8 -16.17 56.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.268 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -72.27 -26.52 62.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.022 -179.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 89.6 p -67.19 -53.65 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.204 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -51.64 -38.51 55.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.664 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 50.2 p -71.89 -54.27 10.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.178 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.22 -45.93 89.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.865 0.365 . . . . 0.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.586 ' HB ' HD11 ' A' ' 91' ' ' LEU . 33.1 p -54.36 -31.51 54.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.605 179.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -63.13 -34.64 78.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.172 -179.719 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -49.07 78.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.549 179.549 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.431 ' O ' HG13 ' A' ' 111' ' ' ILE . 69.9 m-85 -56.59 -34.67 67.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.406 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 4.2 tmt_? -49.91 -50.66 45.46 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -70.49 -37.0 74.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -64.18 -26.8 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.401 -179.564 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 107' ' ' PHE . 81.6 mt -63.21 -41.7 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.951 0.405 . . . . 0.0 110.715 179.566 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.3 mt -68.07 -29.85 68.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -63.83 -50.98 66.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.447 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 115' ' ' LYS . 5.0 m -66.35 -13.68 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.326 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.504 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -121.12 36.07 4.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.832 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.03 -13.15 14.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -98.5 -23.23 15.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.4 tp10 -95.9 141.22 29.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 179.81 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -95.93 -49.21 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -76.52 107.46 8.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 48.1 mm -121.04 103.36 42.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.16 179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.686 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 71.8 Cg_endo -76.92 123.83 7.04 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.488 2.125 . . . . 0.0 112.178 179.739 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.7 tp -135.69 161.38 35.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.424 ' O ' HD12 ' A' ' 90' ' ' LEU . 51.7 tp -165.68 127.88 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.224 179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.625 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.7 p -101.32 143.33 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.015 0.436 . . . . 0.0 111.46 -179.541 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 127' ' ' GLY . 34.6 t -141.88 156.07 20.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.696 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.425 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -129.27 128.17 5.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.473 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -96.66 -170.5 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 179.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 60.15 14.61 4.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.047 -179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.454 ' HA ' HH21 ' A' ' 136' ' ' ARG . 42.7 t -62.61 -14.9 48.31 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.21 -179.666 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -61.15 -15.33 32.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.729 179.839 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HD3' ' A' ' 135' ' ' ARG . 39.5 mt -108.43 81.89 1.54 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.691 179.715 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.78 -17.49 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.4 pt-20 -91.88 -21.05 20.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.524 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.0 mtp180 -105.95 25.49 10.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.019 -179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.454 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.7 ttm105 -95.15 110.97 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.25 -31.8 22.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.6 107.53 40.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.283 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.59 130.96 35.57 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.001 1.801 . . . . 0.0 111.169 179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -48.35 -44.59 13.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.229 -179.525 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -55.45 -47.77 75.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.38 -39.15 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 179.841 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.76 68.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.16 -179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.8 mtt180 -73.76 -38.49 64.69 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -63.09 -49.75 73.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.447 ' HE2' ' HE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -66.72 -43.59 83.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.817 -179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.625 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.11 -32.98 74.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.267 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -61.06 -32.67 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.598 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -54.8 -38.66 67.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.447 ' HE1' ' HE2' ' A' ' 146' ' ' LYS . 22.1 m0 -70.36 -21.42 62.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.84 20.52 10.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.554 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.3 m -127.17 175.85 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.504 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -117.71 130.3 56.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.832 179.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.519 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.5 t80 -95.29 140.29 30.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.113 0.483 . . . . 0.0 111.503 -179.406 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -135.46 150.03 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.261 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.85 143.05 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.698 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 38.9 p -149.44 153.9 38.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.514 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.5 m -117.56 109.96 17.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.27 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.48 -9.73 44.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.303 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -88.19 -34.07 17.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.859 179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.7 p -100.89 -8.5 22.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? 34.95 37.73 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.565 0.541 . . . . 0.0 111.992 -179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.66 -55.65 5.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.124 -179.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -108.9 13.05 25.05 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -178.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.555 ' O ' HG22 ' A' ' 168' ' ' VAL . 58.7 t -68.98 -42.12 82.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.689 0.281 . . . . 0.0 111.111 179.78 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.03 -14.88 61.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.467 179.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -69.44 -31.83 70.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.0 m -76.81 -26.93 16.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.153 -179.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -72.06 -45.91 58.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.585 179.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -69.34 -36.9 77.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.677 179.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -59.48 -54.01 51.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 179.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.43 -36.06 82.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.031 -179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.8 ttm -56.96 -42.61 80.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.494 ' HG2' HD11 ' A' ' 57' ' ' LEU . 93.8 mtt180 -67.99 -34.58 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.7 -33.39 75.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.3 mt -73.06 -54.97 14.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.425 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.467 ' HG2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -57.35 -28.24 62.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.493 -179.23 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 61.2 m -88.21 -60.43 1.97 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -71.79 -54.54 9.86 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 54.6 tptt -58.01 -39.28 77.91 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.0 0.371 . . . . 0.0 112.0 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.5 mmt -81.16 -14.58 57.48 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 58.8 p -65.0 -59.01 4.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.702 0.287 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 52.74 92.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -170.75 174.45 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.807 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.783 179.93 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' HB3' HG23 ' A' ' 62' ' ' VAL . . . -103.55 177.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.68 179.786 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.4 tp -132.88 107.92 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.46 ' CD2' HG21 ' A' ' 62' ' ' VAL . 56.7 m-70 -104.24 115.11 29.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.81 179.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -93.76 117.45 30.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -107.16 128.89 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -107.18 132.96 53.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.023 179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.531 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -83.92 83.69 7.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.983 179.715 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -90.84 153.52 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.683 179.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.478 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -175.51 -160.01 22.47 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.725 -179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.43 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.0 p -66.34 -46.94 75.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.043 0.449 . . . . 0.0 110.643 -179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.82 -6.74 1.87 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.061 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.29 73.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.74 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' HE2' ' A' ' 27' ' ' LYS . 18.6 m -129.64 -20.4 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.33 . . . . 0.0 110.841 179.615 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.37 49.54 0.7 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.923 179.632 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -60.71 -43.48 97.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.097 0.475 . . . . 0.0 110.411 179.817 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.518 ' O ' ' HB ' ' A' ' 31' ' ' THR . 30.2 p -57.67 -29.26 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.142 179.466 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.97 -52.26 66.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.91 -179.262 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.728 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -62.11 -24.83 67.37 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.627 HG23 HG21 ' A' ' 66' ' ' ILE . 86.5 m -73.43 -41.54 63.14 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.69 -179.465 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.28 -38.16 71.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.759 -179.343 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.532 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -66.26 -28.71 68.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 111.333 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -73.54 -53.52 10.36 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.873 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 ttm -82.38 -49.72 9.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 -178.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -89.17 -26.22 21.39 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.1 m-20 57.2 42.94 24.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.047 0.451 . . . . 0.0 110.217 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -151.09 141.01 21.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.204 -179.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -95.93 106.94 19.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.663 179.514 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.569 HG22 ' H ' ' A' ' 42' ' ' ASP . 14.7 p -134.94 151.15 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.72 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -83.16 7.17 16.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.569 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.4 t70 -93.43 139.07 31.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.062 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -146.28 171.8 14.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.25 124.2 22.03 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.767 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.35 122.6 12.07 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 122.366 2.044 . . . . 0.0 112.356 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.9 m -91.94 136.63 33.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 47' ' ' LYS . 4.6 ttmp? -131.08 -46.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.428 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -162.17 -11.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' H ' ' H ' ' A' ' 48' ' ' ALA . 14.7 t70 -76.35 134.32 39.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.5 t -119.02 173.64 6.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.777 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -115.39 158.59 22.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -143.93 138.47 28.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -152.64 156.37 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -115.48 123.31 48.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.934 0.397 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.9 m -138.22 147.27 25.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.3 p -79.03 146.18 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 -179.853 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.5 tp -148.42 111.4 4.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.95 31.33 20.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.557 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.18 -19.64 45.34 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -106.78 114.6 28.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.985 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.5 tt0 -78.58 144.28 35.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.898 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.46 HG21 ' CD2' ' A' ' 15' ' ' HIS . 13.5 p -146.1 153.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -80.76 143.46 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.5 tt -124.39 132.35 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.079 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -119.64 116.18 25.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.684 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 31' ' ' THR . 82.4 mt -109.89 128.0 66.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 111.365 -179.6 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 67' ' ' LEU . 2.6 tm? -125.2 113.94 18.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.134 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -78.77 117.16 19.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.2 p -102.08 117.5 34.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.83 -176.42 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.94 96.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.679 -179.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.3 mt -78.14 6.07 8.81 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.561 0.219 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -50.94 -30.03 13.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.302 -179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -93.63 -151.83 0.32 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.759 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 67.18 155.7 0.1 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.9 -54.16 6.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.598 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.38 11.21 0.11 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.323 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 44.1 mt -62.14 -17.44 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -55.26 -42.5 73.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 -179.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -53.65 -31.34 47.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.338 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -61.37 -49.3 77.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.182 -179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -60.42 -35.38 75.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.301 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -78.14 -25.74 47.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' N ' HG11 ' A' ' 114' ' ' VAL . 55.2 ttt180 -83.81 -17.27 41.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -88.32 7.83 30.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -143.31 142.9 11.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.491 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 12.6 mm-40 -89.88 -37.14 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.905 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.87 20.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -134.1 143.0 47.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.006 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -136.04 105.02 5.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.294 179.408 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.594 HD21 ' HB ' ' A' ' 104' ' ' THR . 18.8 tp -83.0 132.53 35.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.338 -179.285 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.492 HG22 HG12 ' A' ' 126' ' ' VAL . 25.2 t -131.92 119.61 41.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.372 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.687 ' HB3' HG21 ' A' ' 104' ' ' THR . 15.5 p90 -126.96 141.29 51.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.91 0.386 . . . . 0.0 110.465 178.784 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.0 t -85.93 143.58 28.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.358 -179.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.435 HD11 ' O ' ' A' ' 129' ' ' LYS . 5.0 pt -78.79 -32.95 16.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.684 179.638 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.0 p -59.39 -37.38 77.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.776 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -110.57 106.32 15.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -62.61 -16.41 56.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.699 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.56 -26.55 61.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.143 0.497 . . . . 0.0 110.079 -179.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.8 m -65.51 -52.23 54.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.851 -179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -55.09 -37.27 66.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.768 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.7 p -72.22 -53.79 11.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.728 -179.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.66 -40.28 91.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.544 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 93' ' ' PHE . 14.8 p -59.32 -40.6 86.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.223 0.535 . . . . 0.0 109.917 178.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.93 65.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.765 179.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.66 -31.13 66.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.862 179.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -76.5 -26.51 55.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.484 179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -54.26 -40.77 68.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.631 179.728 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.73 -28.98 65.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -73.53 -26.26 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.03 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.08 -37.93 78.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.34 -179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 66.1 mt -67.77 -25.97 65.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.794 -179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 3.1 mmp_? -50.68 -51.15 52.02 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.415 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.548 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.1 m -66.63 -36.06 76.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.017 -179.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -105.25 54.5 0.7 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.33 -39.89 33.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.384 -179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.44 -47.63 83.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.402 179.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 56.19 105.45 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.199 179.304 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -131.61 -50.15 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.774 179.077 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.461 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 74.4 mmtt -146.15 81.7 1.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.639 179.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 19.9 mm -84.35 110.3 25.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -82.03 130.91 6.7 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.858 2.372 . . . . 0.0 111.043 178.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.4 tp -153.12 159.0 42.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.076 0.465 . . . . 0.0 111.537 -179.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.433 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 23.9 tp -162.32 118.91 2.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.324 179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.583 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.7 p -96.11 143.75 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.52 -179.296 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.492 HG12 HG22 ' A' ' 92' ' ' VAL . 5.9 p -142.91 154.3 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.137 179.657 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -123.36 110.78 1.56 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.149 179.762 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.37 -166.36 1.35 Allowed 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.435 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.1 mmtt 59.8 13.2 3.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.178 -179.825 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.1 t -60.65 -13.3 13.74 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.144 -179.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.86 -3.45 9.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.69 179.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.511 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.7 mt -120.36 85.06 2.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.798 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.9 -25.88 61.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.0 pt-20 -86.41 -6.71 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.511 ' HD3' HD13 ' A' ' 132' ' ' LEU . 79.0 mtp180 -119.51 6.67 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.426 ' HD2' HH11 ' A' ' 136' ' ' ARG . 45.9 ttm180 -75.42 109.42 8.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.507 179.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -88.81 -30.24 19.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.547 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.4 t -99.43 106.16 37.72 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.198 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.81 128.56 29.56 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.014 1.81 . . . . 0.0 111.398 179.251 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.9 p -50.27 -43.96 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.449 -179.541 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.402 ' N ' HG13 ' A' ' 140' ' ' VAL . 43.8 mt-10 -60.76 -47.51 86.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.102 -179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.41 -35.37 75.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.93 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.2 mtt180 -64.9 -46.6 81.04 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.265 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.4 t -58.81 -50.3 74.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.483 -179.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.494 ' NZ ' ' HE1' ' A' ' 150' ' ' TRP . 0.0 OUTLIER -66.27 -40.29 90.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.124 -179.35 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.583 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.61 -31.59 72.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.373 -179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.72 -32.37 73.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.892 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -52.13 -45.85 65.13 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.821 179.676 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.494 ' HE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.5 m0 -66.66 -23.26 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.922 179.822 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 104.89 25.63 6.73 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.556 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.44 174.13 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.086 0.47 . . . . 0.0 111.618 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -115.76 131.56 56.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.414 178.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.529 ' HD1' HG22 ' A' ' 125' ' ' VAL . 34.4 t80 -95.14 140.65 29.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.037 0.446 . . . . 0.0 111.418 -179.122 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.406 HG13 HG23 ' A' ' 126' ' ' VAL . 9.2 p -135.34 154.18 35.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.484 -179.796 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -89.47 144.31 26.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.704 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 164' ' ' ASN . 34.2 p -150.73 165.09 34.54 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.044 0.45 . . . . 0.0 111.493 -179.711 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -139.62 111.94 7.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.418 179.483 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -66.96 -3.03 6.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 -179.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -93.53 -42.39 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 70.7 p -94.61 -4.93 46.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.465 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 35.56 38.82 0.05 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.908 -179.827 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.42 -55.66 5.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.113 -179.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.402 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.8 m-20 -111.62 15.62 20.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.593 -179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -64.45 -39.41 85.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.75 0.309 . . . . 0.0 110.987 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.55 -21.74 60.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.65 -32.01 72.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.049 -178.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 165' ' ' VAL . 6.3 m -77.61 -29.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.395 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -73.79 -43.53 58.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.779 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -72.06 -46.39 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.493 ' HA ' ' HE ' ' A' ' 174' ' ' ARG . 15.4 t70 -57.71 -41.31 81.47 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.868 0.366 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.5 tp -71.34 -32.51 68.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.744 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 46.0 ttm -66.18 -37.44 85.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.493 ' HE ' ' HA ' ' A' ' 171' ' ' ASP . 88.9 mtm180 -68.45 -47.79 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.915 -179.116 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.7 -25.99 68.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.565 0.221 . . . . 0.0 111.521 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 81.2 mt -69.52 -53.49 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.1 ptm180 -71.67 -23.64 61.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.3 m -88.07 -59.82 2.14 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -179.318 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.461 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 57.1 tttp -71.14 -54.09 12.25 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.491 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 57.1 tttm -61.91 -59.43 5.13 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.462 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.469 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.8 mmt -54.28 -18.67 4.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.676 0.274 . . . . 0.0 111.612 -179.294 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 34.8 t -64.75 -61.08 2.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.254 -179.696 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 54.41 89.84 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -84.5 -39.07 19.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 62.6 mttp . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.127 -0.94 . . . . 0.0 110.871 179.956 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.714 0.292 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.03 161.91 15.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.2 tp -129.8 109.97 11.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -104.03 138.9 39.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.685 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HD2' ' HG2' ' A' ' 87' ' ' GLU . 95.3 mttt -105.33 146.01 29.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.044 0.45 . . . . 0.0 111.258 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -129.6 114.93 32.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.517 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mm -99.14 107.82 21.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.923 0.392 . . . . 0.0 111.17 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.9 tpt -69.96 85.81 0.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.6 p -99.14 163.6 2.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.543 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.529 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 172.23 -160.59 32.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.472 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.449 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.7 t -57.34 -59.91 4.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.036 0.446 . . . . 0.0 110.569 179.701 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 149.29 34.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.215 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.31 51.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.94 14.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.772 0.32 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.9 58.43 2.01 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.393 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.435 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.6 mttp -76.62 -52.07 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 63.3 p -55.2 -30.36 59.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.278 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.7 -52.78 48.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.584 -179.428 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -58.98 -24.78 63.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.495 ' HB ' ' O ' ' A' ' 28' ' ' SER . 35.5 m -70.28 -45.86 65.49 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.381 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.35 -29.71 66.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.455 -179.505 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 13.4 mm100 -66.19 -36.27 82.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -72.96 -32.41 65.2 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.841 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.3 ttm -81.95 -49.4 10.33 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 -177.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -103.34 -13.52 16.65 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.101 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.472 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 15.0 m-20 57.95 32.34 21.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.115 0.483 . . . . 0.0 110.061 -179.259 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -145.43 136.97 25.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.613 -179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -78.29 116.85 19.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.971 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 42' ' ' ASP . 40.9 t -133.68 150.84 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.756 179.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -91.53 19.47 6.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.127 -179.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.538 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.9 t70 -61.75 152.18 31.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -121.12 129.52 53.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -124.22 104.86 31.71 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.38 152.5 53.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.433 2.089 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 m -110.29 122.74 48.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.002 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -134.25 -65.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.799 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.58 -3.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.956 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -90.59 126.4 35.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.757 179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -108.17 172.12 7.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -93.03 163.92 13.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.88 -179.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -151.31 135.39 16.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -155.71 147.22 22.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.764 -179.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -99.96 124.79 45.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.3 m -137.37 140.56 41.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -82.96 139.28 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.956 0.408 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.468 HD23 HH11 ' A' ' 177' ' ' ARG . 65.7 tp -144.21 114.63 7.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.742 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t70 56.33 30.97 17.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.21 20.53 57.03 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.677 179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.37 113.93 10.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -84.01 114.28 21.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.79 158.84 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.242 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -89.25 147.77 23.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.073 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.55 126.63 75.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.795 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -114.83 114.05 25.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.934 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 67.4 mt -116.56 144.22 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.585 ' HG ' ' H ' ' A' ' 69' ' ' THR . 41.3 tp -106.93 134.46 50.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.549 179.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.71 -32.17 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.585 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 62.2 p 51.61 -176.31 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.653 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -175.04 -172.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.07 101.93 0.31 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.318 179.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 63.5 mt -79.31 9.71 4.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 111.05 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.54 -16.87 55.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.969 179.899 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -74.7 -25.27 59.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -92.75 140.61 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.77 -46.06 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.164 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.43 -1.15 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.355 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.7 mt -72.25 -17.57 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.043 0.449 . . . . 0.0 110.763 179.68 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.494 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 8.0 ptp180 -58.4 -32.29 68.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.253 -179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.92 -31.06 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.362 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -49.88 -42.9 48.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -61.13 -32.87 72.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.578 -179.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -84.22 -21.64 31.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.458 -179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -76.81 -35.5 57.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.177 -179.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -92.57 6.44 47.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.96 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.89 160.1 13.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.655 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HG2' ' HD2' ' A' ' 16' ' ' LYS . 9.1 mm-40 -108.27 -59.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.882 0.373 . . . . 0.0 110.644 179.826 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -88.46 154.03 24.71 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.087 179.642 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -135.25 132.47 37.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.659 0.266 . . . . 0.0 111.057 -179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.92 102.27 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.909 179.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.69 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -82.09 121.29 26.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 126' ' ' VAL . 15.8 t -128.45 140.83 48.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.057 -179.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.638 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -149.46 150.77 32.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.495 178.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 45.2 m -87.36 143.82 27.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.045 -179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.1 pt -75.75 -41.82 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.413 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.7 t -69.42 -10.13 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.033 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 42.0 mt-10 -118.62 96.72 5.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -62.98 -17.15 61.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -73.33 -26.19 60.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.62 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.449 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 19.5 m -70.16 -53.72 16.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.252 -179.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -54.4 -36.13 63.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.17 -53.26 13.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.77 -179.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.17 -32.0 70.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.066 0.46 . . . . 0.0 110.81 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.69 ' HB ' HD11 ' A' ' 91' ' ' LEU . 21.7 p -71.86 -30.96 65.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.552 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.95 -41.91 83.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.917 -179.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.465 ' HG3' ' HD1' ' A' ' 107' ' ' PHE . 7.4 pt-20 -73.57 -42.67 61.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.581 0.229 . . . . 0.0 111.261 -179.65 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.465 ' HD1' ' HG3' ' A' ' 106' ' ' GLU . 8.5 m-85 -55.92 -27.86 54.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.769 179.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 150' ' ' TRP . 3.2 tmt_? -53.85 -47.36 71.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.93 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.9 mt-10 -70.77 -38.21 73.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -56.86 -28.3 61.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.74 -48.2 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.077 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.28 -26.4 66.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 27.6 mmm180 -54.76 -50.23 68.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.285 -179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.4 m -72.74 -12.39 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 111.272 -179.87 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.0 mmtt -118.11 34.8 5.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.772 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.33 -18.87 62.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.538 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -91.33 -19.49 22.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.783 0.325 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.7 168.46 10.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -118.78 -63.96 1.34 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -74.16 108.88 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.716 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 44.4 mm -113.36 117.79 44.72 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.049 -179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.513 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.0 Cg_endo -68.98 97.14 0.55 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.133 1.889 . . . . 0.0 111.843 179.558 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 38.6 tp -122.52 156.22 34.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.687 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 24.2 tp -161.28 124.68 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.729 179.778 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.701 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.5 p -99.77 143.26 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.453 -179.613 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 92' ' ' VAL . 7.9 p -144.42 156.59 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -119.57 109.59 1.69 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.188 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -80.13 -174.16 4.35 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.406 ' O ' HD11 ' A' ' 95' ' ' ILE . 10.0 mmmm 58.01 18.74 5.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.4 t -59.95 -17.88 41.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.374 -179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -64.02 -7.74 9.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.485 HD13 ' HD2' ' A' ' 135' ' ' ARG . 42.5 mt -109.43 79.85 1.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -72.7 -13.99 61.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -93.74 -24.07 17.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.485 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -100.7 0.12 38.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.455 HH11 ' HD2' ' A' ' 136' ' ' ARG . 44.4 ttm180 -66.84 107.95 2.37 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.32 179.655 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -94.74 -27.51 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.18 -179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.9 t -93.8 103.5 10.37 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.245 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.481 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 17.7 Cg_endo -59.3 126.57 21.22 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.04 1.826 . . . . 0.0 111.182 179.22 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.3 p -49.48 -43.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.497 -179.384 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.89 -49.58 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.271 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.481 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 36.1 tt0 -66.74 -31.63 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.968 0.413 . . . . 0.0 110.543 179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.18 -29.46 66.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 90.5 mtt180 -72.45 -42.7 64.72 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.265 -179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -58.38 -51.36 70.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.467 -179.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.4 OUTLIER -67.71 -47.46 69.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.87 -179.578 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.701 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -58.59 -31.85 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.385 -179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -68.2 -32.71 73.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -52.83 -48.17 67.17 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.461 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 11.7 m0 -61.46 -25.8 67.47 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.639 179.582 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.04 22.67 7.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.44 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.63 159.23 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.109 0.48 . . . . 0.0 111.81 -179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -98.12 136.03 38.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.797 178.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.602 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.8 t80 -100.8 142.99 31.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.072 0.463 . . . . 0.0 111.484 -179.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.2 p -141.31 155.11 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -93.41 144.74 25.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.2 p -150.34 152.56 34.63 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.992 0.425 . . . . 0.0 111.65 -179.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 67.7 m -121.52 111.4 17.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.356 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.42 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -66.48 -11.33 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.634 -179.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -87.67 -48.1 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.716 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.454 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 41.3 p -85.71 -6.57 59.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.249 -179.823 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.454 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.18 39.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.576 0.548 . . . . 0.0 112.07 -179.904 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.34 -56.22 4.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.873 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -112.41 17.64 19.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.591 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -65.02 -41.88 93.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.259 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -73.35 -14.81 61.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -58.95 -42.2 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.741 -179.369 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 165' ' ' VAL . 29.3 m -73.57 -26.87 22.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -70.94 -48.52 53.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.887 0.375 . . . . 0.0 110.826 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.99 -40.77 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.303 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.01 -43.07 91.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.035 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.3 tp -70.91 -32.92 70.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.935 -179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.27 -41.58 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.697 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.86 -34.6 77.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.958 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -65.48 -47.28 76.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.623 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 71.9 mt -57.88 -32.42 43.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.37 -179.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.468 HH11 HD23 ' A' ' 57' ' ' LEU . 57.2 mtp180 -75.12 -52.85 9.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.878 -179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 95.5 m -87.83 -59.21 2.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -178.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -60.53 -53.31 59.01 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -178.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 0.2 OUTLIER -64.05 -39.94 95.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.63 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 55.6 mtt -81.08 -17.92 48.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 94.6 p -64.34 -60.77 2.78 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.711 0.291 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 56.83 91.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 17.6 m120 58.63 -172.71 0.1 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 65.3 mttm . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.929 179.875 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.42 ' O6 ' ' HB3' ' A' ' 159' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.724 0.297 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.26 128.16 34.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -98.19 107.66 20.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.655 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -104.49 143.84 32.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.817 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HD2' ' HG3' ' A' ' 87' ' ' GLU . 99.4 mttt -109.55 146.22 35.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.054 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' HB ' HG12 ' A' ' 66' ' ' ILE . 3.3 t -128.84 116.94 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.326 -179.567 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.517 HD11 ' HA3' ' A' ' 86' ' ' GLY . 23.0 mm -104.95 106.09 19.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.803 179.321 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.493 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.18 103.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.8 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.2 p -116.92 151.58 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.033 178.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.425 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 166.41 82.89 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.331 -0.938 . . . . 0.0 112.819 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.552 ' N ' HG22 ' A' ' 104' ' ' THR . 24.7 t 60.26 -84.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.994 0.426 . . . . 0.0 111.265 179.524 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.43 -48.09 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.089 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.6 86.08 0.38 Allowed Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.339 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 85.2 t -129.23 -62.31 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.745 0.307 . . . . 0.0 111.192 -179.706 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 146.21 44.35 0.04 OUTLIER Glycine 0 C--N 1.33 0.248 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.376 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 73.0 mttt -56.52 -47.85 78.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.0 0.429 . . . . 0.0 111.307 -179.671 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -55.89 -29.79 60.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.3 179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.11 -52.93 63.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.082 -179.081 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.3 mm? -63.22 -25.02 68.14 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 28' ' ' SER . 28.6 m -67.56 -43.5 80.49 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.682 -179.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.05 -47.68 57.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.809 -179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB2' HG11 ' A' ' 165' ' ' VAL . 9.1 mm100 -58.79 -34.84 71.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.891 0.376 . . . . 0.0 111.012 -179.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -72.64 -29.23 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.712 -179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.9 tpp -82.69 -49.7 9.51 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -115.14 9.42 15.86 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -178.005 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 3.7 p30 41.72 36.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.001 0.429 . . . . 0.0 111.051 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' C ' HE22 ' A' ' 33' ' ' GLN . 38.3 tt0 -146.97 138.41 24.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.719 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' H ' HH11 ' A' ' 162' ' ' ARG . 62.5 t80 -84.39 105.86 15.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.687 -179.822 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -148.65 140.29 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -89.58 132.16 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -147.67 -31.08 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.225 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.2 t80 58.95 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.729 -179.656 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -104.86 111.99 65.26 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.92 127.37 17.6 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 122.402 2.068 . . . . 0.0 112.231 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.7 m -117.15 118.27 31.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.353 -179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -124.11 -45.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.341 179.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.69 -10.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.675 179.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -81.22 127.85 33.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 76.3 p -109.35 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.109 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -108.51 160.1 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.577 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -149.33 140.08 22.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.472 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 64' ' ' ILE . 40.3 ttpt -158.8 141.01 13.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.835 -179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -96.65 115.63 27.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -133.79 149.07 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.19 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.9 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.303 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 67.1 tp -146.25 115.47 7.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.598 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 57.3 30.93 19.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.634 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.61 -32.82 5.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.668 179.908 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -92.21 124.02 35.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.824 0.345 . . . . 0.0 111.217 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.6 tt0 -87.15 120.29 28.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.2 m -120.75 147.8 24.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -81.82 140.22 34.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.432 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.9 tt -116.84 139.43 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 -179.856 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -131.4 113.33 13.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.584 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.457 HG12 ' HB ' ' A' ' 17' ' ' VAL . 77.3 mt -107.93 145.81 14.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.799 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 tt -142.06 114.53 8.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.734 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -72.62 136.95 45.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.682 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.4 ' HB ' HD11 ' A' ' 72' ' ' LEU . 61.1 p -107.68 -20.15 13.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.383 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.75 -168.14 0.14 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.66 98.08 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.291 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' A' ' 79' ' ' ARG . 84.4 mt -82.43 10.18 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 111.077 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.63 -15.33 51.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.161 -179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -99.82 -167.18 1.42 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 64.44 153.57 0.05 Allowed 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.81 -53.74 7.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.256 -179.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.06 -1.21 0.97 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.177 -179.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.524 ' HA ' ' ND2' ' A' ' 81' ' ' ASN . 61.8 mt -59.57 -17.28 12.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.096 0.474 . . . . 0.0 110.537 179.713 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.623 ' HA ' HD22 ' A' ' 72' ' ' LEU . 15.4 ttp180 -65.66 -52.84 48.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.196 179.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -57.39 -31.22 65.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.316 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.524 ' ND2' ' HA ' ' A' ' 78' ' ' ILE . 27.3 m-80 -52.28 -38.52 58.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.566 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -64.96 -41.42 95.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.347 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 114' ' ' VAL . 71.2 m-85 -67.95 -33.01 73.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 111.274 -179.792 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 -79.41 -11.89 59.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.3 m -98.74 13.85 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.181 -179.651 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.517 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -134.41 -177.04 14.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.898 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 44.4 mt-10 -122.53 -56.67 1.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 0.0 110.672 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.94 160.22 22.34 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.223 179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -130.89 139.95 50.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -127.9 105.1 8.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.508 179.762 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.675 HD11 ' HB ' ' A' ' 104' ' ' THR . 14.4 tp -82.93 124.32 30.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.414 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.9 t -137.07 107.79 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.46 -179.361 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.591 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.3 p90 -114.88 168.55 9.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.658 179.195 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 p -104.11 139.41 39.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 26.9 pt -72.36 -39.0 62.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.424 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 40.3 p -65.37 -22.93 66.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.534 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -109.84 95.64 5.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.849 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -62.61 -15.62 52.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.81 -26.85 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.478 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 104' ' ' THR . 80.1 p -73.33 -54.78 7.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.903 -178.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -51.92 -34.61 42.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.754 -179.339 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.9 p -73.13 -54.21 9.07 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.7 -39.94 93.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.201 -179.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.675 ' HB ' HD11 ' A' ' 91' ' ' LEU . 28.9 p -52.57 -31.44 36.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.183 179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.65 -47.15 79.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.764 -179.248 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -55.89 -39.82 72.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 111.491 -179.784 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.541 ' HA ' HE21 ' A' ' 110' ' ' GLN . 21.6 m-85 -54.62 -23.87 18.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.404 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -47.44 -44.18 24.65 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.114 -179.782 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 43.5 mt-10 -70.4 -46.71 63.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.597 -179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.541 HE21 ' HA ' ' A' ' 107' ' ' PHE . 48.1 mt-30 -56.31 -36.77 69.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.658 -179.25 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 107' ' ' PHE . 87.8 mt -59.26 -46.93 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.212 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.76 -27.55 66.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.697 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 60.2 mtp180 -55.32 -50.92 68.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -179.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 83' ' ' PHE . 9.3 m -69.84 -19.91 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 111.647 -179.491 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.4 mmtt -117.83 39.41 3.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.831 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.63 -15.58 61.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.391 -179.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -100.79 -1.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.204 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 23.9 mm-40 -106.29 151.91 24.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -95.73 -62.22 1.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -84.67 121.08 27.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.0 mm -114.98 105.35 53.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.133 -179.888 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.76 128.29 28.54 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.406 2.071 . . . . 0.0 111.982 179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 56.3 tp -148.98 159.06 44.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' ' 90' ' ' LEU . 55.9 tp -166.34 123.63 1.36 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.86 179.632 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.653 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -99.01 141.78 15.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.058 0.456 . . . . 0.0 111.439 -179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 168' ' ' VAL . 21.4 t -144.84 151.89 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.757 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -124.2 110.87 1.5 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.102 179.608 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -82.45 -167.68 1.69 Allowed 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.424 ' HG2' ' OG1' ' A' ' 96' ' ' THR . 10.4 tppt? 58.77 16.54 4.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.533 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 54.5 m -64.97 -8.16 14.65 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -66.11 -8.37 23.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.414 . . . . 0.0 110.287 179.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 135' ' ' ARG . 32.9 mt -117.01 80.48 1.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.633 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.54 ' HG2' HH22 ' A' ' 136' ' ' ARG . 42.3 mt-10 -71.79 -22.92 61.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -85.58 -9.08 57.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.927 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.498 ' HD3' HD13 ' A' ' 132' ' ' LEU . 45.9 mtp180 -115.78 1.15 13.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.31 -179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.54 HH22 ' HG2' ' A' ' 133' ' ' GLU . 41.7 ttm180 -64.92 113.19 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.724 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -87.61 -29.66 21.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -179.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.0 t -100.36 105.48 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.021 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.48 124.97 17.43 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 121.905 1.737 . . . . 0.0 111.392 179.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.535 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -49.52 -43.86 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.198 -179.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 140' ' ' VAL . 42.6 mt-10 -57.4 -48.25 79.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.29 -36.28 81.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.0 -28.83 67.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 99.3 mtt180 -64.19 -48.99 73.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -58.39 -44.2 88.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.503 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -62.92 -48.72 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.613 179.855 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.8 73.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.091 0.472 . . . . 0.0 111.402 -179.419 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -53.36 -31.62 45.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.353 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -50.89 -49.03 60.23 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.652 0.263 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 22.7 m0 -71.9 -16.82 62.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.847 179.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.05 14.69 28.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.055 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.25 -176.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.187 0.518 . . . . 0.0 111.393 -179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -126.64 132.78 51.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.662 179.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.653 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.4 t80 -95.23 139.58 31.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.028 0.442 . . . . 0.0 111.358 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.32 152.97 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -92.63 141.07 28.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.467 179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 54.8 p -146.12 158.29 43.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.997 0.427 . . . . 0.0 111.663 -179.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.3 m -134.42 108.97 8.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.433 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.4 -18.41 65.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.503 -179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -79.11 -25.54 42.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -101.37 -21.02 14.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.289 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.596 HH11 ' H ' ' A' ' 39' ' ' PHE . 8.6 mtm180 54.75 27.45 8.83 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.449 -179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.36 -56.17 4.66 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -111.04 19.46 18.43 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.534 HG11 ' HB2' ' A' ' 33' ' ' GLN . 58.1 t -67.3 -49.55 70.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 0.0 110.954 179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.77 -16.08 61.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.747 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -64.63 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.684 -179.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.504 HG11 HG11 ' A' ' 126' ' ' VAL . 4.0 m -81.3 -26.64 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.585 -179.334 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -73.37 -44.66 58.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -71.82 -32.59 67.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -67.09 -49.36 65.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -63.12 -32.5 73.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 40.6 ttm -59.31 -44.36 92.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 -179.614 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -63.68 -34.14 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -62.12 -40.01 94.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.305 -179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.523 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.2 mt -66.68 -34.67 71.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.515 -179.59 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 181' ' ' MET . 70.9 mtp180 -75.55 -40.45 56.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.711 0.291 . . . . 0.0 111.624 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -87.34 -58.66 2.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -67.12 -54.36 22.11 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -177.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 85.3 tttt -61.62 -50.79 71.16 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -178.729 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.424 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.4 mmt -66.71 -13.8 61.76 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t -66.74 -60.2 2.89 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 59.34 95.17 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.344 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -165.48 151.5 9.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.086 179.853 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.209 -0.9 . . . . 0.0 111.036 179.8 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.406 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.85 42.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.992 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.95 106.85 14.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.008 -179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -105.25 128.41 53.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.769 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 59.2 mttp -103.65 134.22 47.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 0.0 111.54 -179.392 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.8 p -118.43 131.14 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.865 179.575 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 mm -112.53 112.9 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.511 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 3.6 mmt -61.28 98.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.005 179.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.6 p -104.57 154.99 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.539 179.439 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 178.98 -161.12 27.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.707 -179.808 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 100' ' ' SER . 55.1 p -62.07 -49.1 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.689 -179.832 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.86 -10.61 0.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.16 85.85 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.904 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 93' ' ' PHE . 29.0 m -135.33 -8.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 179.597 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.1 43.66 2.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.815 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 49.8 mtmt -59.35 -43.54 92.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.531 179.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.2 p -58.22 -29.1 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.97 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -51.67 68.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.766 -179.235 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.697 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -59.93 -25.25 65.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 177.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 HG21 ' A' ' 66' ' ' ILE . 22.5 m -74.15 -40.76 62.37 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.689 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.09 -31.14 67.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.811 -179.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.563 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.0 mm100 -74.39 -38.43 63.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.367 -179.539 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -72.94 -37.14 67.25 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.737 0.303 . . . . 0.0 111.49 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 98.2 mmm -82.59 -50.13 9.11 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -178.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -107.25 -22.11 12.72 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -178.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 61.01 57.23 2.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.067 0.461 . . . . 0.0 110.246 -179.127 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -157.56 133.09 9.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.631 -179.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -94.34 106.08 18.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.027 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 p -152.73 150.64 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -76.17 106.83 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -163.25 138.91 6.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -137.54 153.23 50.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -144.0 125.9 8.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 -179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.58 149.18 68.81 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.396 2.064 . . . . 0.0 112.213 179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 m -127.26 126.12 42.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -120.02 -51.96 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.696 179.9 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -155.0 -0.07 0.17 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.001 179.601 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -85.7 130.64 34.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.647 179.838 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.7 t -127.5 170.23 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 39.7 m-85 -107.9 146.49 32.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.763 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -144.97 138.66 26.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.913 0.387 . . . . 0.0 111.064 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -151.97 144.83 24.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.813 179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 34.0 mtmm -92.66 125.59 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 -179.707 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.5 m -143.26 141.27 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.716 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.0 p -73.1 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.896 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.2 tp -142.93 105.75 4.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.4 t70 56.82 30.91 18.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.72 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.16 -37.14 3.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.41 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.66 113.76 26.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.6 tt0 -79.71 115.24 19.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.911 179.765 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.04 141.25 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.785 179.606 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.5 mt-30 -81.16 138.1 35.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.145 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -111.5 130.06 65.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.04 179.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.583 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.6 t70 -110.93 113.91 26.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.571 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.51 HG21 HG23 ' A' ' 31' ' ' THR . 73.0 mt -104.19 122.74 57.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.012 0.434 . . . . 0.0 111.438 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.74 106.07 16.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.267 179.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.3 122.05 14.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 82.5 p -123.92 155.09 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.65 -178.29 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.942 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.42 116.96 9.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.036 179.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 79' ' ' ARG . 5.2 mp -84.45 6.35 23.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.631 0.253 . . . . 0.0 110.865 -179.579 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 61.07 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.531 ' HA ' HH21 ' A' ' 79' ' ' ARG . 19.4 t70 -147.24 -72.15 0.22 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.729 0.3 . . . . 0.0 111.207 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 59.81 176.57 0.09 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.263 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.49 -54.08 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.555 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.06 25.93 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.156 -179.785 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.31 -17.92 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.899 179.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.531 HH21 ' HA ' ' A' ' 74' ' ' ASP . 91.2 mtt180 -57.04 -53.79 54.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -55.62 -34.46 64.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 -179.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -62.78 -34.72 77.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.242 -179.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -78.46 -34.13 47.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -74.93 -19.6 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -83.01 -24.33 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.124 -179.463 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.3 t -73.22 -3.49 27.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.67 165.28 22.25 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.394 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -103.26 -44.51 5.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.807 0.336 . . . . 0.0 110.969 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.6 166.5 24.01 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.449 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -138.28 141.31 39.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.681 0.277 . . . . 0.0 110.737 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.45 108.74 10.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.58 179.639 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.663 HD21 ' HB ' ' A' ' 104' ' ' THR . 7.3 tp -82.65 132.13 35.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.841 -179.581 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.31 133.83 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.812 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.614 ' HA ' HG11 ' A' ' 25' ' ' VAL . 13.1 p90 -145.29 156.16 43.65 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.641 178.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.9 t -95.97 145.91 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.555 HG12 ' HB3' ' A' ' 129' ' ' LYS . 10.6 pt -77.17 -36.72 24.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.985 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.4 p -67.88 -13.44 62.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.944 0.402 . . . . 0.0 110.612 179.479 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -121.34 93.5 4.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.56 179.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -61.7 -16.42 48.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.391 -179.721 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -72.96 -26.97 61.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.998 0.428 . . . . 0.0 110.459 -179.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 22.4 m -69.95 -51.89 28.98 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.192 -179.632 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -53.45 -40.09 64.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.225 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -72.69 -53.71 10.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.035 -179.423 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.42 -35.83 74.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.663 ' HB ' HD21 ' A' ' 91' ' ' LEU . 7.9 p -60.27 -31.13 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.495 179.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.87 68.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 48.0 mt-10 -68.66 -45.11 72.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.996 0.427 . . . . 0.0 110.297 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -61.12 -23.85 65.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.88 179.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -48.07 -56.2 8.34 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.453 -179.772 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.39 -35.6 73.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.444 -179.666 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.3 mt-30 -57.08 -30.02 63.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.061 0.458 . . . . 0.0 110.644 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 50.7 mt -59.51 -35.85 61.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.659 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.48 -25.37 65.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.048 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -50.32 -51.3 46.57 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -62.72 -35.58 71.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.59 ' HG2' HG23 ' A' ' 114' ' ' VAL . 66.9 mmtt -109.93 59.7 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.7 179.237 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.12 -46.12 33.76 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.688 -179.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -55.64 -34.26 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.032 0.444 . . . . 0.0 110.018 179.378 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 54.05 93.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.582 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -119.85 -54.83 2.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.06 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.57 ' HD2' ' HG3' ' A' ' 179' ' ' LYS . 73.4 mmtt -151.58 86.84 1.34 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.776 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.18 112.2 55.22 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.216 179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.89 127.82 15.03 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.458 2.105 . . . . 0.0 111.821 179.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -140.27 148.13 40.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.525 ' H ' HD23 ' A' ' 123' ' ' LEU . 26.3 tp -155.8 112.13 3.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.788 178.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.645 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -90.19 137.58 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.608 -178.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 168' ' ' VAL . 16.1 t -144.55 144.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -119.06 124.31 5.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.971 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -91.64 -166.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.701 0.286 . . . . 0.0 110.515 -179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.555 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.2 tppt? 65.62 8.72 5.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.4 t -57.71 -12.66 3.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.402 -179.608 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.53 -9.14 16.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.933 0.397 . . . . 0.0 110.594 179.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.1 mt -120.9 94.79 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.745 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.85 -48.01 41.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -69.0 -18.14 64.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.784 -179.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.595 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 93.1 mtt180 -104.32 20.45 18.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.12 -179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.463 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.6 ttm180 -94.36 111.86 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.281 179.566 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -81.06 -38.19 27.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.336 -179.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 76.0 t -92.69 111.5 51.32 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.307 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.65 133.38 45.03 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.122 1.881 . . . . 0.0 111.33 179.237 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.542 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -52.81 -44.69 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.5 -179.549 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -56.01 -49.4 73.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.427 -179.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -62.19 -34.31 76.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.408 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.67 -28.82 67.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.382 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 93.3 mtt180 -73.8 -41.24 62.65 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.336 -179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -61.35 -42.2 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.453 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.512 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.3 tmmm? -74.92 -48.58 23.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.579 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -56.35 -37.9 70.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.433 -179.811 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.45 -31.27 71.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.056 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -51.1 -47.26 61.97 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.512 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 37.5 m0 -64.02 -19.2 65.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.1 13.23 37.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.998 -179.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 123' ' ' LEU . 12.7 m -114.83 -178.95 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.12 0.486 . . . . 0.0 111.539 -179.827 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -121.18 129.37 53.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.063 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.645 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.7 t80 -95.46 139.87 31.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.136 -179.587 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.6 152.37 33.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.422 -179.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -89.99 148.13 23.27 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.336 179.584 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.2 p -151.72 166.49 31.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.951 0.405 . . . . 0.0 111.79 -179.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 69.7 m -139.14 112.81 8.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.184 179.591 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.05 -4.56 4.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.426 -179.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -96.9 -55.51 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.04 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 59.2 p -76.87 -9.18 58.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? 35.17 39.06 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.964 -179.829 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.45 -55.52 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.799 -179.751 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.05 15.93 25.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.571 -179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.563 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.4 p -66.66 -43.37 90.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -73.07 -15.03 61.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.203 179.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -70.79 -34.11 71.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.512 -179.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.602 HG11 HG11 ' A' ' 126' ' ' VAL . 3.2 m -71.84 -30.53 37.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.777 0.323 . . . . 0.0 111.255 -179.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -75.15 -44.73 45.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.236 -179.776 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -72.32 -36.75 68.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.084 179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.56 -47.29 82.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.88 -32.48 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.5 ttm -56.53 -46.28 80.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.734 179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -68.2 -34.64 76.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.69 179.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.445 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 23.8 mm-40 -64.3 -30.85 71.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 99.0 mt -72.64 -51.41 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.292 -179.844 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 181' ' ' MET . 12.7 ptm180 -67.11 -23.26 65.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.662 -179.67 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.7 m -88.07 -59.58 2.2 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 -179.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.57 ' HG3' ' HD2' ' A' ' 120' ' ' LYS . 0.5 OUTLIER -71.03 -55.85 7.4 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.494 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -59.05 -59.94 4.67 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.471 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.6 mmt -55.14 -19.84 8.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -179.155 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 40.1 t -78.86 -47.35 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 62.88 166.41 0.12 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.093 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -71.53 -23.09 61.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 185' ' ' LYS . 4.1 ttpm? . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.7 mp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.744 0.307 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.03 176.8 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.751 179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.61 106.13 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -107.59 146.06 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.653 179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 68.1 mttm -124.76 117.03 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -101.82 116.23 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.629 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HD11 ' HA3' ' A' ' 86' ' ' GLY . 36.6 mm -85.7 128.58 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.104 -179.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.624 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -84.11 93.17 8.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.932 -179.737 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.8 p -114.05 156.04 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.455 179.593 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.564 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 158.87 86.92 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.155 -179.569 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.577 ' N ' HG22 ' A' ' 104' ' ' THR . 27.6 t 59.24 -81.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.956 0.407 . . . . 0.0 111.045 179.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 174.33 -87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.015 179.711 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.13 67.88 3.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.982 179.393 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG11 ' HA ' ' A' ' 93' ' ' PHE . 96.5 t -114.21 -46.39 4.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.432 -179.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.13 33.83 0.4 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.331 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.624 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 46.4 mtmt -55.4 -31.51 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.038 0.447 . . . . 0.0 110.707 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' A' ' 31' ' ' THR . 56.4 p -68.78 -30.16 68.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.761 179.462 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -66.3 -52.31 48.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.876 -179.145 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.561 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -57.12 -25.14 58.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.272 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.7 m -74.19 -50.48 19.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.809 -179.67 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -59.88 -38.55 82.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.275 -178.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.49 ' HB2' HG21 ' A' ' 165' ' ' VAL . 11.9 mm100 -64.81 -40.46 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.754 0.311 . . . . 0.0 111.378 -179.333 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -72.87 -30.78 64.25 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 31' ' ' THR . 96.6 mmm -80.3 -49.27 11.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -110.64 -7.87 14.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.47 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 27.4 t70 56.03 45.17 24.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.228 0.537 . . . . 0.0 109.908 -179.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HA ' HH11 ' A' ' 162' ' ' ARG . 9.5 tp10 -154.37 131.59 11.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.03 -179.348 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' N ' HE22 ' A' ' 33' ' ' GLN . 71.0 t80 -85.86 105.86 16.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.493 179.577 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.8 p -118.05 142.08 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 -179.831 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -66.7 -36.88 83.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 40' ' ' VAL . 15.1 t70 -64.12 137.46 57.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.819 179.83 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -121.39 162.3 20.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -129.73 100.53 19.34 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.72 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.96 139.56 47.56 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.411 2.074 . . . . 0.0 112.267 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.428 HG21 ' H ' ' A' ' 68' ' ' ASP . 86.3 m -86.4 145.15 26.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.155 -179.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -135.39 -41.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.628 179.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.45 -3.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -84.71 137.47 33.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 m -109.31 156.13 20.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -110.58 155.7 21.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -148.89 150.89 33.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.741 179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -166.06 154.17 10.68 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -115.77 127.79 55.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.815 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.1 m -139.22 159.8 28.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.321 -179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.41 141.62 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.439 HD22 ' SD ' ' A' ' 173' ' ' MET . 56.0 tp -140.55 99.86 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.681 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.91 30.87 16.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.35 -36.37 4.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -79.57 128.36 33.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 111.022 179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -100.61 114.33 27.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.993 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -121.38 157.37 24.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.005 179.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -95.12 141.71 28.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.036 -179.864 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 tt -117.69 144.04 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.729 179.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.592 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 9.2 t70 -135.99 121.8 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.027 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 73.1 mt -106.81 126.31 62.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.791 179.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.546 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.0 tm? -128.79 135.46 49.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.613 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.546 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.4 t70 65.81 121.69 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.308 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.423 ' HB ' ' HA ' ' A' ' 28' ' ' SER . 75.1 p -135.22 14.05 3.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.11 -179.91 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.31 164.95 13.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.923 0.392 . . . . 0.0 111.394 -179.845 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.18 120.64 23.66 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.565 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 68.0 mt -86.78 24.34 1.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -89.86 -13.96 35.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -80.96 5.62 15.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.274 -179.52 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.441 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 71.7 m-85 -119.74 135.2 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.25 -46.61 55.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -145.79 7.0 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.377 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.441 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 43.8 mt -84.75 -19.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.0 0.428 . . . . 0.0 110.89 179.775 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 13.7 ptp180 -59.77 -36.84 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.174 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.39 -33.07 71.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.711 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -52.53 -34.47 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.092 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -74.35 -46.68 39.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.363 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.645 ' HB3' HG21 ' A' ' 114' ' ' VAL . 68.1 m-85 -62.87 -24.35 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.15 -179.906 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.73 -39.24 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.053 -179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.0 p -73.15 -1.17 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.032 -179.798 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.55 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -112.09 175.12 16.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.681 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -119.78 -50.5 2.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.593 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.01 169.95 23.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.086 -0.578 . . . . 0.0 111.976 179.481 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -139.84 138.64 35.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.774 0.321 . . . . 0.0 111.057 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 168' ' ' VAL . 4.2 tp -130.2 103.93 7.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.965 179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.649 HD21 ' HB ' ' A' ' 104' ' ' THR . 3.2 tm? -85.79 125.85 33.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.44 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 64.7 t -138.49 135.34 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.799 0.333 . . . . 0.0 111.53 -179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.536 ' HB3' HG21 ' A' ' 104' ' ' THR . 8.5 p90 -138.09 150.8 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.722 179.165 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 m -89.06 134.66 33.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.942 0.401 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.491 HD13 ' HE ' ' A' ' 136' ' ' ARG . 42.4 pt -67.7 -31.85 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 81.7 p -67.53 -25.43 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.021 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.68 99.56 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.034 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -62.79 -16.46 58.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.946 0.403 . . . . 0.0 110.69 179.693 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.59 -27.76 62.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.096 -179.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 104' ' ' THR . 89.6 p -70.57 -53.72 14.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 -179.424 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -51.74 -39.32 58.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.9 p -73.05 -53.84 10.08 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.432 -179.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.36 80.59 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.332 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.649 ' HB ' HD21 ' A' ' 91' ' ' LEU . 19.6 p -55.18 -31.37 61.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.171 179.849 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.24 83.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.239 -179.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -63.0 -40.64 98.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.924 0.392 . . . . 0.0 110.751 179.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -66.99 -25.46 66.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.223 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -50.7 -44.33 57.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.929 0.395 . . . . 0.0 110.672 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 40.7 mt-10 -70.84 -42.04 70.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.068 179.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -56.28 -36.77 68.99 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.131 -179.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.4 mt -59.0 -47.23 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.858 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.0 -29.97 69.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 56.2 mtp180 -60.95 -51.03 70.97 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.831 0.348 . . . . 0.0 111.673 -179.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.645 HG21 ' HB3' ' A' ' 83' ' ' PHE . 5.3 m -66.98 -13.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.557 -179.661 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.497 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -124.18 28.69 6.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.759 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.05 -24.58 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.41 -25.75 38.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.731 179.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -83.34 -178.26 7.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.732 179.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -126.0 -59.98 1.31 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 1.4 mptm? -81.98 112.15 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.766 179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.63 104.32 54.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.75 131.14 24.99 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.319 2.013 . . . . 0.0 112.157 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.0 tp -143.17 158.8 43.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.027 -179.767 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.3 tp -166.42 120.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.066 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.556 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -100.98 143.68 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.444 . . . . 0.0 111.978 -178.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.503 HG21 ' HB ' ' A' ' 168' ' ' VAL . 87.7 t -143.47 146.99 20.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -108.97 130.08 9.85 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.245 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -94.57 -174.32 3.28 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 120.689 0.28 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.443 ' O ' HD11 ' A' ' 95' ' ' ILE . 33.8 mmtp 57.24 16.98 3.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.395 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.422 ' HA ' HH21 ' A' ' 136' ' ' ARG . 68.2 m -59.06 -14.69 10.56 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.312 -179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 158' ' ' SER . 5.9 p-10 -73.44 3.92 5.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.974 0.416 . . . . 0.0 110.725 179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.3 mt -128.08 54.56 1.71 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.748 -179.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.0 -11.26 36.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.273 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -76.57 -21.1 56.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.275 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -128.25 18.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.694 -179.735 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.491 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.5 ttm180 -62.02 108.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.533 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -74.73 -33.54 62.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.684 -179.295 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 63.0 t -96.89 106.95 34.24 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.727 -0.215 . . . . 0.0 111.383 -179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.76 132.63 52.91 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.293 1.995 . . . . 0.0 111.791 179.525 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.427 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -57.38 -39.82 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.34 -179.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -64.29 -40.32 95.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.19 -28.2 61.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.16 -52.87 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.786 179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 74.5 mtt180 -54.6 -45.68 73.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.33 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -56.93 -31.55 65.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.99 0.424 . . . . 0.0 110.498 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.5 OUTLIER -75.03 -48.37 24.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.324 179.614 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.442 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -54.42 -43.35 71.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.475 -179.341 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.28 -32.62 56.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.266 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -51.4 -47.94 62.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 179.746 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -72.63 -21.4 61.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.697 179.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.67 10.73 26.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.963 -179.673 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.442 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.3 m -112.7 173.62 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.117 0.484 . . . . 0.0 111.198 -179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -116.46 130.31 56.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.665 178.884 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.556 ' HD1' HG22 ' A' ' 125' ' ' VAL . 21.9 t80 -94.84 135.55 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.025 0.441 . . . . 0.0 111.177 -179.39 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 89.5 t -128.27 146.56 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.057 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -89.66 133.66 34.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.195 179.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 164' ' ' ASN . 33.3 p -143.22 148.32 36.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.002 0.43 . . . . 0.0 111.45 -179.303 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 131' ' ' ASP . 29.7 p -123.5 107.82 11.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.775 179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.58 -13.74 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -70.19 -40.1 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.344 179.67 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 69.8 p -99.85 -13.01 19.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.579 HH11 ' HA ' ' A' ' 38' ' ' GLU . 5.8 mtm180 50.56 34.26 9.29 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.52 -55.8 5.06 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.463 ' HB3' HG22 ' A' ' 157' ' ' THR . 4.5 m-20 -110.95 14.02 22.06 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -179.079 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 168' ' ' VAL . 7.6 p -66.01 -41.65 90.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.8 0.333 . . . . 0.0 110.383 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.34 -19.93 60.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.614 178.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.36 -36.66 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.214 -178.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 165' ' ' VAL . 13.0 p -71.2 -34.12 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.75 0.31 . . . . 0.0 111.553 -179.088 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -70.72 -41.87 71.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.53 -36.76 68.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.462 179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.51 -53.89 12.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.174 -179.523 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.9 tp -58.77 -32.32 69.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.23 -179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.439 ' SD ' HD22 ' A' ' 57' ' ' LEU . 41.8 ttm -57.32 -47.87 80.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.308 -179.736 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -56.22 -37.32 69.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.184 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.4 -39.3 88.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.713 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.434 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 57.4 mt -62.7 -35.42 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.43 -179.754 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' A' ' 181' ' ' MET . 43.6 mtm180 -75.84 -47.54 25.16 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 182' ' ' SER . 68.6 m -87.44 -59.2 2.32 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -65.9 -54.06 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -60.28 -56.3 23.25 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.734 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.4 mmt -62.16 -18.64 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.774 0.286 . . . . 0.0 111.774 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.1 t -59.84 -58.88 6.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 110.676 179.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 16.1 mm-40 59.78 173.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.375 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -73.62 136.05 43.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.008 -179.886 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 12' ' ' LEU . 1.6 pt? . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.905 0.384 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.505 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -95.25 160.39 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.954 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 tp -124.62 107.68 11.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.798 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.5 m-70 -108.55 145.84 34.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 96.9 mttt -118.89 137.17 53.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.35 . . . . 0.0 111.335 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.3 p -119.28 132.92 67.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.107 179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -113.54 111.57 36.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 3.5 mmt -63.8 97.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.765 179.757 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 90' ' ' LEU . 9.9 p -101.28 157.17 4.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 175.5 -164.41 34.74 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.387 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 104' ' ' THR . 14.8 t -59.58 -32.57 70.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.001 0.429 . . . . 0.0 110.788 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.87 -17.41 1.22 Allowed Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.808 -179.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.631 ' HA2' HNB3 ' A' ' 500' ' ' GNP . . . -148.47 -109.95 0.55 Allowed Glycine 0 N--CA 1.452 -0.287 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 179.711 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG21 ' HA ' ' A' ' 93' ' ' PHE . 61.2 t 70.04 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 179.459 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . 109.3 37.67 1.92 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.646 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.566 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 8.9 ptpp? -57.32 -30.2 64.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 31' ' ' THR . 39.3 p -69.45 -29.46 67.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.974 179.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.16 -52.57 64.77 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.737 -179.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.1 mm? -60.53 -25.12 65.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 178.5 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.581 HG23 HG21 ' A' ' 66' ' ' ILE . 44.8 m -70.49 -39.79 73.97 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.362 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.2 mt -71.56 -44.68 64.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.608 -179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 9.8 mm100 -58.26 -38.12 76.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.927 0.394 . . . . 0.0 111.281 -179.346 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -73.13 -25.89 61.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.602 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 43.3 tpp -82.45 -50.12 9.21 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -178.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -123.09 -7.5 8.31 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.2 t70 59.48 59.86 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.086 0.47 . . . . 0.0 110.356 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' HA ' HH11 ' A' ' 162' ' ' ARG . 34.6 tt0 -162.5 127.38 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.978 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -90.91 111.83 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.582 179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.47 149.73 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -74.98 96.14 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.72 179.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -161.53 126.4 3.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 42.9 p90 -137.9 148.94 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.108 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -141.7 130.52 12.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.759 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.01 147.88 71.96 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.443 2.095 . . . . 0.0 112.314 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.7 m -130.08 127.75 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -119.14 -34.01 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -163.1 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.407 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.98 134.95 35.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.796 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -127.67 174.34 9.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -113.7 155.79 24.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.545 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -140.45 152.42 45.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 111.176 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -164.51 170.25 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.659 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -119.15 133.3 55.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.308 -179.472 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.8 m -143.56 141.33 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.939 179.781 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.3 p -92.34 137.5 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.005 0.431 . . . . 0.0 111.44 -179.693 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.33 103.08 8.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.904 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 p30 43.54 31.17 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.802 179.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.03 -48.11 0.97 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.054 179.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -87.59 117.01 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.02 0.438 . . . . 0.0 111.502 -179.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.1 tt0 -86.13 122.98 30.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.083 -179.858 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 13' ' ' ALA . 33.6 m -130.14 139.51 51.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -83.96 161.63 20.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.219 -179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.512 HD12 ' HE2' ' A' ' 173' ' ' MET . 17.8 tt -139.22 144.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.567 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.1 t70 -120.52 118.91 31.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.591 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.581 HG21 HG23 ' A' ' 31' ' ' THR . 47.9 mt -103.6 124.05 57.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.094 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 67' ' ' LEU . 2.6 tm? -99.86 118.9 37.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -79.2 110.0 14.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.3 p -101.13 178.76 4.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.26 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -148.64 -163.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -57.12 92.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.166 179.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 88.8 mt -75.79 6.35 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.247 -179.667 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.64 -10.91 59.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -83.66 -21.69 32.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 -179.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.503 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 44.5 m-85 -99.84 130.03 46.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.881 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.01 -46.8 64.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -141.54 -5.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.394 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 29.2 mt -73.13 -20.74 18.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.91 0.386 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.592 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 40.0 ptt180 -64.15 -34.19 77.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.282 -179.787 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -59.0 -30.83 68.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.981 -179.669 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -51.2 -38.15 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.528 -179.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -66.53 -46.41 76.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.446 -179.36 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.595 ' HB2' HG11 ' A' ' 114' ' ' VAL . 37.9 m-85 -61.98 -38.27 87.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -74.31 -11.02 60.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 m -94.08 9.46 37.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.105 -179.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.5 -175.77 14.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.627 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -122.26 -32.92 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 0.0 111.018 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.7 169.68 13.88 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -133.46 141.43 47.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 -179.816 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' C ' HG12 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -130.69 105.78 8.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.593 179.632 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.666 HD11 ' HB ' ' A' ' 104' ' ' THR . 8.4 tp -81.76 128.42 33.98 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.676 0.274 . . . . 0.0 110.335 -179.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.413 HG22 HG12 ' A' ' 126' ' ' VAL . 35.2 t -133.86 128.34 53.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 112.031 -179.361 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.512 ' HA ' HG21 ' A' ' 25' ' ' VAL . 6.0 p90 -144.32 153.41 41.96 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.593 178.666 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 t -94.6 150.0 20.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.387 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 24.4 pt -74.68 -37.46 43.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.402 ' N ' HG13 ' A' ' 95' ' ' ILE . 61.9 p -66.84 -26.46 66.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.634 179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -104.53 89.52 3.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.74 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.94 -16.64 60.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.11 -179.935 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -73.46 -26.41 60.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.062 0.458 . . . . 0.0 110.677 -179.364 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.433 ' O ' HG23 ' A' ' 104' ' ' THR . 19.9 m -70.1 -53.52 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.565 -179.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -51.64 -38.97 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.98 0.419 . . . . 0.0 111.736 -179.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.6 p -72.73 -53.85 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.289 -179.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.04 -37.07 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.551 -179.278 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.666 ' HB ' HD11 ' A' ' 91' ' ' LEU . 13.5 p -55.18 -31.5 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.787 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.65 -34.92 78.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -36.27 79.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.703 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 111' ' ' ILE . 22.1 m-85 -70.05 -25.72 63.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -48.98 -54.56 15.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.86 -34.55 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.219 -179.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -65.19 -24.54 67.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.46 HG22 HG21 ' A' ' 121' ' ' ILE . 98.2 mt -66.06 -47.28 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.242 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.04 -27.36 66.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.9 mmp_? -63.07 -49.59 73.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.971 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 83' ' ' PHE . 3.3 m -69.28 -12.0 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.454 -179.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG2' HG23 ' A' ' 114' ' ' VAL . 72.3 mmtt -123.61 43.27 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.915 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.19 -15.26 63.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.276 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -94.96 -25.2 16.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.165 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -77.03 163.41 26.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -115.55 -17.0 11.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -143.19 105.34 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.983 179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.46 HG21 HG22 ' A' ' 111' ' ' ILE . 4.1 mp -99.26 113.65 64.94 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.463 ' HG3' HG12 ' A' ' 176' ' ' ILE . 46.2 Cg_endo -67.74 123.44 10.74 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.29 1.993 . . . . 0.0 112.155 179.771 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -128.01 157.0 41.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.686 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 tp -159.46 124.36 4.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.342 179.553 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.595 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.5 p -104.59 143.94 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.956 0.408 . . . . 0.0 111.756 -178.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.413 HG12 HG22 ' A' ' 92' ' ' VAL . 6.5 p -143.52 154.26 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.083 179.494 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -125.05 105.22 0.82 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.84 179.443 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -82.59 -171.14 3.33 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.693 0.282 . . . . 0.0 110.402 -179.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 62.69 15.46 8.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.639 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 55.9 m -63.82 -8.49 10.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.61 -9.75 15.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.489 179.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.525 HD13 ' HD2' ' A' ' 135' ' ' ARG . 24.1 mt -116.89 87.67 2.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.968 -179.599 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.15 -28.16 62.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.261 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -84.93 -6.47 59.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.334 -179.681 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.525 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -117.92 14.92 14.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.25 -179.708 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.0 ttm180 -82.66 110.47 17.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.607 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.51 -34.05 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.97 108.27 57.97 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.75 135.9 69.32 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.141 1.894 . . . . 0.0 111.318 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.4 p -50.06 -42.71 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.396 -179.456 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.35 -46.76 88.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.357 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -57.67 -36.42 71.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.99 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -68.61 -31.96 71.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 96.0 mtt180 -66.62 -44.11 82.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.111 179.756 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -58.8 -39.45 81.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.536 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.418 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -76.57 -42.24 43.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.016 -179.5 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -59.95 -48.64 80.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.999 -179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -53.9 -32.3 52.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.888 -179.176 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -52.23 -38.18 57.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.661 0.267 . . . . 0.0 111.179 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.418 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 20.3 m0 -78.74 -18.44 54.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.99 21.44 11.03 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.123 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.47 177.97 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.028 0.442 . . . . 0.0 111.456 -179.691 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -120.92 130.09 53.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.788 179.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.595 ' HD1' HG22 ' A' ' 125' ' ' VAL . 25.4 t80 -95.25 141.19 29.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.094 0.473 . . . . 0.0 111.326 -179.48 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -137.35 154.05 29.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.222 179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -89.93 148.34 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 18.2 p -151.23 170.03 20.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.487 -179.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 27.3 t -148.64 113.95 5.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.671 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.33 -3.11 12.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -91.95 -37.77 12.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 80.7 p -94.87 -19.04 20.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 179.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.461 HH11 ' HA ' ' A' ' 38' ' ' GLU . 7.6 mtm180 50.56 32.13 6.39 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.349 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.97 -56.26 4.63 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -111.81 21.75 15.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 168' ' ' VAL . 2.9 p -66.52 -43.14 90.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.774 0.321 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.76 -14.71 61.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -58.94 -39.21 80.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.673 -179.237 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.472 ' N ' ' HG3' ' A' ' 167' ' ' LYS . 35.6 m -75.63 -26.83 18.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.207 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -73.95 -47.38 37.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.217 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -71.59 -44.91 63.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.308 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.78 -52.37 65.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.014 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.93 -34.67 73.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 -179.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.512 ' HE2' HD12 ' A' ' 64' ' ' ILE . 50.4 ttm -58.61 -47.24 84.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -69.5 -34.03 73.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.21 -36.28 72.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.463 HG12 ' HG3' ' A' ' 122' ' ' PRO . 67.6 mt -69.71 -52.6 30.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.249 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' A' ' 181' ' ' MET . 52.2 mtp180 -55.86 -38.03 69.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.015 -179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 81.5 m -87.09 -58.57 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -69.7 -53.5 18.23 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.2 tttt -63.36 -35.17 79.5 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.205 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.447 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.5 mmt -81.98 -12.72 58.2 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.228 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 98.0 p -86.59 -60.87 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.702 0.287 . . . . 0.0 111.014 -179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 52.05 86.59 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -147.14 120.42 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 90.6 mttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.091 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.631 HNB3 ' HA2' ' A' ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.55 129.88 52.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 tp -104.4 108.56 20.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.844 -179.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -106.7 114.58 28.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -93.89 141.17 28.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.701 179.725 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -128.13 139.22 52.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.052 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.442 HD11 ' HA3' ' A' ' 86' ' ' GLY . 19.2 mm -113.19 130.8 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.491 -179.73 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.517 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -82.49 96.23 7.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.681 179.479 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.6 p -101.13 157.3 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.795 179.856 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 179.43 -167.01 36.75 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.724 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 70.8 p -61.08 -46.42 90.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.985 0.422 . . . . 0.0 110.823 -179.877 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.07 18.38 0.84 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.479 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.23 65.5 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.418 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.539 HG13 ' OG ' ' A' ' 94' ' ' SER . 13.6 t -126.14 -40.51 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.699 0.285 . . . . 0.0 111.297 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 133.32 38.16 0.23 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.35 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 7.7 mtmp? -59.8 -36.03 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.88 0.371 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.523 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -71.82 -30.09 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.203 179.906 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.33 -52.89 56.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.895 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 HD11 HG11 ' A' ' 92' ' ' VAL . 0.9 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.319 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.552 HG23 HG21 ' A' ' 66' ' ' ILE . 97.2 m -68.53 -46.44 69.54 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.277 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -70.04 -32.44 70.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 -179.664 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.7 mm100 -61.82 -34.96 76.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.806 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -72.99 -27.87 62.05 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.553 -179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.6 tpp -82.6 -49.48 9.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -108.23 -10.45 15.38 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -177.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.37 28.2 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.651 -179.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -143.28 152.09 41.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.999 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -94.64 120.91 35.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.614 179.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.567 HG12 ' H ' ' A' ' 42' ' ' ASP . 20.1 t -126.89 148.95 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.011 -179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -83.6 9.1 12.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' H ' HG12 ' A' ' 40' ' ' VAL . 7.9 m-20 -101.66 148.94 24.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -141.71 165.59 27.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.638 179.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -137.79 128.02 15.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.87 156.97 21.37 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.334 2.023 . . . . 0.0 112.154 -179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.479 HG21 ' H ' ' A' ' 69' ' ' THR . 91.7 m -131.47 114.27 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.227 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -117.01 -40.75 3.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.71 179.746 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -165.26 0.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.38 132.96 34.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.511 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -122.2 172.8 8.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -115.5 154.56 29.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.749 179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -135.73 137.79 42.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.41 . . . . 0.0 110.934 179.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -147.74 154.37 40.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.565 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 36.5 mtmm -118.68 120.84 38.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.828 0.347 . . . . 0.0 111.128 -179.723 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -138.73 147.91 24.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.003 179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -81.66 143.82 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.554 HD23 HH11 ' A' ' 177' ' ' ARG . 61.2 tp -135.34 104.56 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.22 -179.563 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 53.89 31.08 12.59 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 179.729 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.17 -42.13 2.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.602 179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -91.25 118.15 30.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 33.8 tt0 -85.63 131.43 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.752 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 m -133.66 148.45 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.032 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.8 mt-30 -81.26 138.64 35.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 tt -118.89 137.94 51.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.366 -179.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -128.2 123.37 34.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.678 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.552 HG21 HG23 ' A' ' 31' ' ' THR . 58.3 mt -110.2 141.99 23.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.859 0.361 . . . . 0.0 111.526 -179.649 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 50' ' ' SER . 0.5 OUTLIER -129.28 114.28 16.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.126 179.705 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -54.41 -53.38 54.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.994 -179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.479 ' H ' HG21 ' A' ' 46' ' ' THR . 23.1 m 75.03 -38.6 0.38 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.916 179.646 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.89 -174.76 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.62 119.81 15.1 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.059 179.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.608 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 4.5 mp -90.12 16.74 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 110.912 -179.456 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -75.11 5.74 5.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.337 -179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -107.57 -14.57 14.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.023 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.483 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 36.2 m-85 -100.12 138.93 36.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.814 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.13 -53.24 8.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.443 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.37 -8.01 2.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.294 -179.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.483 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 33.9 mt -64.16 -16.69 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.654 179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.608 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 66.3 mtm180 -53.78 -48.39 69.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.91 -31.76 60.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -62.92 -44.97 94.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.78 -49.95 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.183 -179.753 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -62.91 -23.25 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -84.24 -28.77 27.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.291 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -55.51 -38.47 69.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -110.58 159.0 14.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.657 -179.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -96.75 -14.48 21.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.22 158.05 15.68 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.683 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -136.14 134.31 38.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.768 0.318 . . . . 0.0 111.091 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.466 HD23 ' HB3' ' A' ' 124' ' ' LEU . 18.7 mt -129.12 102.18 6.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.19 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -84.11 123.17 29.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.567 179.714 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 30' ' ' LEU . 42.2 t -129.03 137.54 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.388 . . . . 0.0 111.625 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.532 ' HA ' HG21 ' A' ' 25' ' ' VAL . 8.4 p90 -146.65 152.69 39.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.391 178.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.539 ' OG ' HG13 ' A' ' 25' ' ' VAL . 73.7 m -87.55 135.19 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.303 -179.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.12 -36.04 75.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.706 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.52 HG23 ' HG3' ' A' ' 97' ' ' GLU . 5.0 t -71.18 -22.94 61.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.561 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.52 ' HG3' HG23 ' A' ' 96' ' ' THR . 46.6 mt-10 -108.3 93.05 4.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.739 179.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.36 -16.23 53.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.071 -179.865 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -73.13 -26.89 61.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.581 -179.362 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -70.71 -51.98 23.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.337 -179.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -53.53 -39.21 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.463 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.4 -53.64 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.891 -179.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.09 -36.13 76.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.607 ' HB ' HD11 ' A' ' 91' ' ' LEU . 11.8 p -60.62 -31.71 70.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.15 0.5 . . . . 0.0 110.462 179.385 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.92 -35.2 79.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.08 -42.9 99.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -64.61 -27.63 69.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.416 ' HA ' HD12 ' A' ' 111' ' ' ILE . 4.3 tmt_? -55.24 -43.19 74.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.713 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -70.66 -30.12 66.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.023 179.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -71.81 -25.95 62.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 108' ' ' ARG . 72.4 mt -58.2 -38.51 68.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.326 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.9 mt -68.48 -26.15 65.34 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.5 mmm180 -51.7 -51.22 57.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.575 0.213 . . . . 0.0 111.575 -179.421 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.568 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.5 m -62.91 -38.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.029 0.443 . . . . 0.0 110.465 179.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.568 ' HG2' HG23 ' A' ' 114' ' ' VAL . 25.4 mmtp -99.76 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.42 178.655 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.91 -37.6 6.55 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.504 -179.178 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -60.13 -44.35 94.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.123 0.487 . . . . 0.0 109.794 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.413 ' HA ' HD11 ' A' ' 121' ' ' ILE . 30.6 tt0 60.04 111.95 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.068 179.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.504 ' C ' ' HD2' ' A' ' 120' ' ' LYS . 12.0 m-20 -149.58 -68.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.691 179.247 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.621 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 2.9 mptp? -136.92 82.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.491 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 118' ' ' GLU . 4.7 mp -86.08 114.4 57.02 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.073 -179.929 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.49 119.5 6.54 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.355 2.037 . . . . 0.0 111.811 179.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.2 tp -143.23 161.38 38.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' A' ' 90' ' ' LEU . 59.9 tp -168.85 127.01 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.267 179.412 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.622 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.5 p -98.7 142.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.086 0.47 . . . . 0.0 111.603 -179.622 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 168' ' ' VAL . 19.2 t -143.87 139.94 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.702 179.512 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -110.74 129.27 9.19 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.286 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.9 -166.65 1.41 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.766 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 132' ' ' LEU . 74.5 mmtt 59.72 21.51 10.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.2 t -57.62 -30.69 65.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.83 -21.59 43.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.04 0.448 . . . . 0.0 110.403 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.535 HD13 ' HD2' ' A' ' 135' ' ' ARG . 43.1 mt -93.84 66.38 3.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.59 179.66 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.8 -13.97 62.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.024 -179.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.83 -12.63 30.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.535 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.1 mtt180 -107.48 -6.68 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.241 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 136' ' ' ARG . 40.2 ttm180 -60.91 108.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.689 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -102.57 -17.73 15.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.055 -179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 57.8 t -100.82 100.64 13.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.232 179.917 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 13.4 Cg_endo -57.66 139.29 89.76 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.198 1.932 . . . . 0.0 111.696 179.553 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 89.0 t -53.93 -47.89 63.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.617 -179.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -54.48 -42.02 70.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.703 -179.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.402 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 39.1 tt0 -74.96 -31.21 61.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.695 0.283 . . . . 0.0 111.325 -179.586 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.35 -31.06 60.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.452 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 42.5 mtt180 -77.57 -33.68 53.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.993 -179.693 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 t -66.23 -53.6 35.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.262 -179.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.09 -41.61 99.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 -179.573 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.526 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.03 -36.33 77.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.586 -179.699 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.32 -32.74 70.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.949 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.0 -41.52 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -69.26 -29.2 67.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.479 179.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 111.8 32.25 2.51 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.54 179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.8 177.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.102 0.477 . . . . 0.0 111.654 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.2 pt20 -120.82 137.8 54.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.95 179.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.622 ' HD1' HG22 ' A' ' 125' ' ' VAL . 42.4 t80 -102.52 138.68 39.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.921 0.391 . . . . 0.0 111.363 -179.494 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 4.7 p -135.67 154.16 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.56 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -90.1 135.73 33.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.342 179.235 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.542 HG22 ' HB2' ' A' ' 164' ' ' ASN . 69.4 p -149.48 162.37 40.26 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.024 0.44 . . . . 0.0 111.542 -179.414 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 32.9 p -133.08 110.44 10.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.497 179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.4 -3.55 6.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.66 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -87.27 -43.14 12.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 28.8 p -98.84 0.43 44.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.332 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.406 ' HB3' HE21 ' A' ' 33' ' ' GLN . 5.0 ppt_? 33.5 47.04 0.13 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.195 179.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.2 -55.81 4.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.979 -179.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.542 ' HB2' HG22 ' A' ' 157' ' ' THR . 2.7 m-20 -112.04 6.89 19.55 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.746 0.276 . . . . 0.0 111.746 -179.439 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.549 ' O ' HG22 ' A' ' 168' ' ' VAL . 14.7 p -57.63 -41.31 78.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.86 -14.91 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.4 -31.28 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.881 -179.05 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.622 HG11 HG11 ' A' ' 126' ' ' VAL . 3.9 m -71.13 -28.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 111.086 -179.481 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -74.34 -43.39 56.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -69.79 -34.3 73.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.663 179.584 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -60.87 -45.58 94.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 175' ' ' GLU . 44.9 tp -72.77 -42.39 64.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 23.5 ttp -54.22 -36.44 63.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.73 -36.17 75.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.557 -179.858 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 172' ' ' LEU . 0.0 OUTLIER -78.27 -25.15 46.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.37 -179.412 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.43 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.7 mt -65.1 -50.33 74.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.824 0.345 . . . . 0.0 111.27 179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.554 HH11 HD23 ' A' ' 57' ' ' LEU . 9.5 ptm180 -73.98 -24.05 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.6 m -88.35 -60.19 2.03 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.657 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -71.11 -54.42 11.17 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.9 tmtm? -61.54 -51.88 66.77 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.131 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.492 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.9 mmt -64.03 -13.92 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.498 -179.319 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.9 t -71.32 -60.37 2.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.695 0.284 . . . . 0.0 111.092 -179.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.621 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.3 mt-10 60.22 -178.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.006 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -96.39 -30.56 13.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 87.1 tttt . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.931 -179.95 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.49 174.3 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 tp -134.86 123.21 23.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.823 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' HB3' HD13 ' A' ' 176' ' ' ILE . 34.5 m-70 -116.69 112.53 21.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -83.74 145.76 28.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.693 179.751 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 66' ' ' ILE . 1.3 t -127.31 120.19 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.36 -179.48 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.604 HD11 ' HA3' ' A' ' 86' ' ' GLY . 26.8 mm -99.07 108.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.917 0.389 . . . . 0.0 110.963 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.586 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.1 tpt -70.98 92.1 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.433 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' A' ' 91' ' ' LEU . 8.0 p -104.32 159.49 5.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.323 -179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.92 -164.12 31.73 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.549 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.518 ' HB3' HG23 ' A' ' 25' ' ' VAL . 17.8 t -59.68 -31.29 69.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 111.072 -179.779 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.88 22.75 5.22 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.348 -179.83 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.39 39.57 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.23 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 22' ' ' SER . 75.4 t -100.73 -45.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 111.333 -179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.63 38.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.181 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 58.9 mttt -53.45 -36.27 61.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -67.71 -30.41 69.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.19 -52.07 63.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.019 -178.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.56 -24.55 67.59 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.1 m -72.43 -48.12 43.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.773 -179.471 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.3 -33.5 69.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.81 -179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.544 ' HB2' HG21 ' A' ' 165' ' ' VAL . 28.3 mm-40 -65.35 -32.69 74.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.983 0.42 . . . . 0.0 110.833 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -73.49 -40.8 63.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.933 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.446 ' HE3' ' HB2' ' A' ' 35' ' ' MET . 42.5 ttm -82.31 -49.75 9.7 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -177.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -99.86 -26.51 13.99 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.132 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 4.2 m-20 58.88 40.57 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.094 0.473 . . . . 0.0 110.021 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' C ' HE22 ' A' ' 33' ' ' GLN . 38.7 tt0 -144.79 128.3 17.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -83.73 105.9 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.63 139.41 51.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -74.11 98.61 3.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.54 178.03 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -164.44 151.03 11.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.766 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.49 99.61 4.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -50.22 149.82 11.74 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 122.654 2.236 . . . . 0.0 112.686 -179.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 68' ' ' ASP . 84.9 m -92.34 123.21 35.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.049 179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -110.62 -69.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.034 -179.795 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.74 6.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.295 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -87.56 136.44 32.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 m -114.57 157.47 22.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.763 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 24.4 m-85 -101.47 152.68 20.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -144.06 132.84 22.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 179.57 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -149.29 144.57 26.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.983 -179.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -95.8 116.3 28.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.22 -179.857 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.8 m -131.59 153.88 39.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.5 p -103.54 145.04 13.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.935 0.398 . . . . 0.0 111.267 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD21 ' HG2' ' A' ' 174' ' ' ARG . 53.4 tp -150.2 123.62 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.504 179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 56.2 30.89 17.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.587 -179.556 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.07 -29.3 5.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.445 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -89.16 115.75 26.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.706 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.8 tt0 -74.23 117.09 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 -179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.4 m -121.46 143.7 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -81.39 159.11 24.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.185 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 tt -130.58 137.86 55.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.62 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 13.7 t70 -137.53 113.56 9.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.159 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' A' ' 17' ' ' VAL . 82.7 mt -101.04 129.61 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.55 179.668 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -133.84 137.88 45.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.615 -179.59 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 16.1 t70 68.42 129.16 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.278 179.794 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.502 ' HA ' ' HB3' ' A' ' 19' ' ' MET . 9.8 t -154.38 -8.26 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.076 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.6 152.62 18.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 117.83 4.55 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.431 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD12 ' HB3' ' A' ' 79' ' ' ARG . 95.3 mt -75.6 -72.69 0.3 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.601 0.239 . . . . 0.0 110.943 -179.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 58.81 16.42 4.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.014 0.435 . . . . 0.0 111.041 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -137.76 -168.13 2.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.953 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 61.99 176.73 0.13 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.2 -53.71 15.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.163 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -176.02 32.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.987 -179.907 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 51.1 mt -59.51 -24.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.146 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.521 ' HB3' HD12 ' A' ' 72' ' ' LEU . 27.9 ptt180 -52.84 -36.09 58.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.93 179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -59.42 -39.38 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.776 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -53.28 -35.32 59.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -71.95 -44.62 63.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.206 -179.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -67.52 -20.77 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.083 -179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.12 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 50.7 m -70.53 0.09 7.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.176 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.604 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -114.6 167.65 12.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.413 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -119.67 -49.11 2.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.427 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -89.56 159.35 28.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.404 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.72 129.0 23.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 124' ' ' LEU . 26.4 mt -123.41 103.23 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.8 tp -82.87 128.4 34.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.225 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.401 HG22 ' HB ' ' A' ' 126' ' ' VAL . 61.1 t -131.16 140.36 48.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 111.995 -179.556 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.558 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.8 p90 -151.46 145.09 24.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.453 178.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.433 ' OG ' HG13 ' A' ' 25' ' ' VAL . 36.9 m -82.71 144.83 29.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.011 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.49 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 43.2 pt -76.02 -35.94 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.689 179.706 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.41 ' N ' HG13 ' A' ' 95' ' ' ILE . 34.9 p -68.92 -12.23 61.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.829 179.761 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.48 98.39 6.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.04 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -62.98 -18.08 62.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -73.42 -26.5 60.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.142 0.496 . . . . 0.0 110.435 -179.674 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 46.3 m -67.96 -54.05 21.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.858 -179.037 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -59.34 -35.26 73.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 111.549 -179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.5 p -71.84 -53.42 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.776 -179.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.5 -37.88 85.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.098 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.9 p -57.96 -32.55 67.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.5 -28.6 69.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.92 -45.48 67.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.609 179.521 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -59.48 -24.78 63.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.966 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -49.2 -48.39 45.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.66 -36.17 78.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 -179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -59.28 -27.32 65.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.934 -179.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 72.8 mt -70.7 -43.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.446 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.58 -25.82 65.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.914 -179.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -50.72 -50.99 54.01 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.6 m -69.53 -47.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.89 -179.292 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' HG2' HG23 ' A' ' 114' ' ' VAL . 73.7 mmtt -87.38 33.66 0.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.788 0.328 . . . . 0.0 111.072 -179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.98 -15.83 57.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.302 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -96.62 -16.76 20.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -93.96 175.3 6.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.52 -48.25 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.406 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.4 mmtt -82.78 120.57 25.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.802 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 45.5 mm -123.81 104.12 33.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.427 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 36.7 Cg_endo -65.38 105.94 0.79 Allowed 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.166 1.911 . . . . 0.0 111.872 179.66 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 54.6 tp -127.64 159.86 33.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.745 -179.706 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 55.5 tp -167.92 124.86 1.11 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.236 179.677 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 154' ' ' TYR . 1.9 p -92.45 143.0 12.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.954 0.407 . . . . 0.0 111.176 -179.425 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.575 HG13 HG11 ' A' ' 168' ' ' VAL . 15.9 t -136.13 114.8 15.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.922 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.7 128.73 8.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.104 179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -102.08 -176.31 3.08 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.704 0.288 . . . . 0.0 110.392 -179.786 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.403 ' HZ3' HD12 ' A' ' 132' ' ' LEU . 3.2 mmmp? 55.54 21.21 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.095 -179.866 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 63.6 m -66.26 -6.19 13.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.77 1.21 7.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.005 0.431 . . . . 0.0 110.498 179.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.403 HD12 ' HZ3' ' A' ' 129' ' ' LYS . 50.1 mt -128.1 51.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.606 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.61 -12.48 16.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.35 -179.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -76.97 -31.66 56.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.124 -179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -118.03 24.54 10.94 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.341 -179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 43.6 ttm180 -59.89 109.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 17.9 mt-30 -72.75 -31.46 64.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.356 -179.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.6 t -105.74 99.54 22.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 52.5 Cg_exo -54.66 131.96 48.79 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.163 1.909 . . . . 0.0 111.462 179.218 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 3.1 p -49.47 -46.86 20.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.486 -179.581 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.504 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.6 mt-10 -54.41 -44.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.386 -179.363 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.78 -39.68 91.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.883 0.373 . . . . 0.0 110.772 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.97 -28.84 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 57.6 mtm180 -73.08 -37.73 66.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.247 -179.685 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 149' ' ' GLU . 40.8 t -66.11 -40.4 90.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.484 -179.493 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HE2' ' NE1' ' A' ' 150' ' ' TRP . 0.5 OUTLIER -74.96 -46.91 32.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.043 -179.679 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -61.77 -42.43 98.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.689 -179.519 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.63 -31.94 62.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.041 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 145' ' ' SER . 9.5 mm-40 -52.84 -45.47 67.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.911 179.553 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.456 ' NE1' ' HE2' ' A' ' 146' ' ' LYS . 12.4 m0 -66.91 -16.23 64.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 96.49 30.74 7.51 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.04 -179.734 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 32.6 m -128.04 -176.22 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 111.379 -179.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -126.63 128.6 47.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.228 179.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.5 ' HA ' HG13 ' A' ' 125' ' ' VAL . 26.2 t80 -96.09 134.84 38.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.14 0.495 . . . . 0.0 111.687 -179.198 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 59.3 t -133.16 153.32 37.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -89.41 138.49 31.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 45.6 p -145.27 152.84 40.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.576 -179.354 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.3 m -122.22 110.19 15.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.284 179.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.4 -0.14 0.81 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.775 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -99.69 -49.83 4.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.755 179.555 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.4 p -87.35 -3.74 59.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.402 -179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? 35.13 44.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.906 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.6 -55.84 5.02 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.55 15.78 22.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -178.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.544 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.2 p -68.55 -44.77 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.421 ' N ' HG13 ' A' ' 165' ' ' VAL . 10.5 m-20 -73.81 -15.43 61.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.337 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -75.17 -32.01 61.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.575 HG11 HG13 ' A' ' 126' ' ' VAL . 33.2 m -79.04 -26.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.207 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -71.43 -47.67 54.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.781 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -71.86 -29.7 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -61.38 -47.78 84.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.748 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.3 tp -71.69 -32.72 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.629 179.847 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.443 ' HA ' HD12 ' A' ' 176' ' ' ILE . 53.3 ttm -55.02 -39.09 68.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.449 ' HG2' HD21 ' A' ' 57' ' ' LEU . 85.2 mtm180 -68.7 -37.24 79.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.821 179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -71.17 -27.15 63.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 173' ' ' MET . 95.0 mt -68.51 -54.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.819 0.342 . . . . 0.0 111.455 -179.762 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.431 ' HA ' ' HG3' ' A' ' 181' ' ' MET . 13.6 ptm180 -70.15 -27.7 64.76 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.128 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 90.7 m -89.42 -60.54 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.406 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 80.0 tttt -71.17 -54.45 10.97 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 7.7 tmtm? -59.07 -45.64 90.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.623 0.249 . . . . 0.0 111.669 -178.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.431 ' HG3' ' HA ' ' A' ' 177' ' ' ARG . 43.3 mtt -64.32 -12.2 39.62 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.93 0.345 . . . . 0.0 111.93 -179.173 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 70.1 m -71.04 -60.56 2.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 57.21 29.33 16.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 62.28 176.18 0.13 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.026 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.968 -179.683 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.423 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.485 1.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.14 151.92 19.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 -179.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.7 tp -124.36 110.0 14.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.739 -179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -110.64 138.08 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.786 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.9 mttp -119.38 123.12 43.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.23 -179.829 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -104.73 138.3 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.715 179.599 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.4 mm -101.91 113.98 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.896 0.379 . . . . 0.0 111.071 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.4 tpt -74.96 86.16 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.804 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.58 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.7 p -95.27 160.08 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.942 0.401 . . . . 0.0 111.056 -179.728 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.21 -171.44 43.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.374 -179.833 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.6 t -55.05 -44.22 74.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.879 0.371 . . . . 0.0 110.753 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 147.06 -15.35 1.52 Allowed Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.253 -179.805 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -171.34 68.58 0.13 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.403 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.4 m -117.93 -14.91 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.707 0.289 . . . . 0.0 111.371 -179.819 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.6 41.7 0.48 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.82 -52.38 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 110.81 179.858 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.3 p -61.99 -30.42 70.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.297 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.24 -52.97 56.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -179.479 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD11 HG11 ' A' ' 92' ' ' VAL . 6.6 mt -61.19 -25.06 66.78 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.038 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 28' ' ' SER . 85.0 m -70.28 -44.2 68.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.263 -179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.37 -39.6 74.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -179.783 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.524 HE21 ' HB3' ' A' ' 162' ' ' ARG . 13.9 mm100 -56.27 -38.33 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.961 0.41 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -72.72 -25.41 61.21 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.293 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.1 tpp -81.88 -49.63 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -178.311 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -119.0 -7.68 10.35 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -177.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 14.5 t70 59.84 33.42 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 110.406 -179.689 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -142.46 131.95 23.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.608 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -71.84 110.13 6.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.751 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 42' ' ' ASP . 44.9 t -108.73 139.44 31.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -79.23 -32.24 43.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.5 ' H ' HG12 ' A' ' 40' ' ' VAL . 18.8 t70 -62.45 106.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -80.89 173.67 12.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.668 179.697 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -146.33 103.73 4.04 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.965 -179.863 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 154.79 19.44 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.362 2.041 . . . . 0.0 112.041 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.538 HG21 ' HA ' ' A' ' 69' ' ' THR . 44.9 m -94.87 137.45 33.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.278 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.8 -61.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.509 179.691 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -171.02 -22.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.848 179.728 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -74.5 132.83 42.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.771 179.913 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.428 ' OG ' ' HG ' ' A' ' 67' ' ' LEU . 17.1 m -123.68 174.93 7.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.813 179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 50.1 m-85 -98.47 146.92 25.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.497 179.85 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -149.92 137.78 20.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -156.23 172.84 17.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.823 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -105.98 124.73 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.029 -179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 m -136.89 149.68 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.989 179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.4 p -95.53 134.77 31.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.441 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.6 tp -135.67 113.7 11.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.549 179.671 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 54.83 31.32 15.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.714 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.16 -32.48 6.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.69 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.36 113.76 25.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.3 tt0 -80.13 124.22 28.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.552 179.484 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.36 147.57 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -83.87 136.27 34.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.5 tt -112.66 134.99 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 179.78 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.532 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 24.4 t70 -119.08 120.96 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 51.5 mt -119.56 128.3 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.375 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HG ' ' OG ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -100.43 128.62 46.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.465 179.511 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.12 -50.04 49.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.823 179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.538 ' HA ' HG21 ' A' ' 46' ' ' THR . 25.4 m 62.6 117.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.632 179.686 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.97 -170.4 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.19 97.23 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.366 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.516 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 89.7 mt -83.73 10.74 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.717 0.294 . . . . 0.0 111.079 -179.921 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -90.24 9.19 29.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.041 -179.87 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -104.3 -32.86 8.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.067 -179.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 65.2 m-85 -77.47 130.25 36.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.79 97.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.379 -179.828 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.54 -4.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.33 -179.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 29.3 mt -70.13 -18.96 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.516 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 17.4 ptp180 -64.26 -30.77 71.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.03 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.74 -31.3 71.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -51.03 -34.73 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.41 -179.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -75.76 -35.37 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.817 -179.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -83.21 -15.86 48.76 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.143 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -80.15 -40.09 28.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.702 0.287 . . . . 0.0 111.235 -179.433 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.7 m -90.6 14.01 14.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.099 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -112.32 158.98 13.96 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.824 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -107.85 -60.48 1.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.879 0.371 . . . . 0.0 110.8 179.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.515 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -87.81 163.16 33.34 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.48 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -142.46 124.93 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 124' ' ' LEU . 28.6 mt -118.41 102.55 9.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.029 179.567 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.3 tp -83.03 123.36 29.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.398 179.641 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 30' ' ' LEU . 38.9 t -128.29 137.18 58.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.016 0.436 . . . . 0.0 111.892 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.538 ' HB3' HG21 ' A' ' 104' ' ' THR . 31.7 p90 -144.31 140.55 29.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.153 178.806 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 29.4 m -71.0 128.59 36.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.896 0.379 . . . . 0.0 110.906 -179.858 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.469 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 1.5 pp -63.26 -37.07 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.438 -179.911 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.471 HG23 ' HG3' ' A' ' 97' ' ' GLU . 8.0 t -74.21 -16.63 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 43.0 mt-10 -111.81 97.53 6.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.849 179.825 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -63.09 -16.29 59.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.802 179.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.41 -26.93 61.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.547 -179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 48.3 m -70.21 -45.78 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.099 -179.614 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.32 -38.1 73.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.287 -179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.6 p -71.83 -53.62 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.51 -179.443 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.39 80.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.583 ' HB ' HD21 ' A' ' 91' ' ' LEU . 6.9 p -56.5 -37.68 70.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.9 179.476 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.94 -31.15 66.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.482 -179.5 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -67.37 -45.57 75.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -62.7 -26.09 68.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.876 0.369 . . . . 0.0 110.499 179.836 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 44.7 mt-10 -70.53 -39.72 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -57.13 -29.88 63.94 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.04 -179.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 86.5 mt -62.18 -48.36 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.202 179.74 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.4 mt -67.36 -26.53 66.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.271 -179.864 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 30.7 mmm180 -56.01 -50.29 71.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.405 -179.744 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.556 HG23 ' HG2' ' A' ' 115' ' ' LYS . 7.8 m -72.94 -24.31 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.618 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.556 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.71 40.21 2.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.33 -9.8 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -98.16 -26.64 14.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.037 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.34 151.85 19.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 -179.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -108.6 -32.91 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -90.5 96.51 10.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.652 179.781 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 37.3 mm -108.89 104.7 55.56 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 -179.857 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.515 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 37.5 Cg_endo -65.59 107.2 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.454 2.103 . . . . 0.0 112.365 179.873 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -123.83 152.5 42.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.126 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 123' ' ' LEU . 53.9 tp -162.09 117.13 1.92 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.117 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.569 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.7 p -91.94 141.11 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 CA-C-O 121.177 0.513 . . . . 0.0 111.576 -179.032 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 168' ' ' VAL . 16.9 t -132.15 148.47 32.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.501 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.85 129.08 9.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.27 179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -107.79 -178.34 3.59 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 -179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.43 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 30.1 mmmt 57.94 18.21 4.89 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.414 ' HA ' HH21 ' A' ' 136' ' ' ARG . 48.0 t -60.42 -15.0 22.16 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 -179.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -70.07 1.64 4.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.604 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 49.7 mt -121.5 67.66 0.89 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -64.86 -24.19 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.006 -179.694 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.7 pt-20 -80.14 -24.54 40.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 88.5 mtt180 -101.32 -0.59 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 44.8 ttm105 -66.75 109.06 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -92.35 -26.01 18.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 93.9 t -102.16 103.72 32.08 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.234 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 23.3 Cg_endo -61.81 130.72 32.25 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.127 1.885 . . . . 0.0 111.36 179.125 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.538 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.2 p -48.71 -43.7 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.632 -179.585 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 142' ' ' GLU . 6.3 pt-20 -54.51 -37.04 64.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.509 -179.483 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 141' ' ' GLU . 39.5 tt0 -75.37 -44.41 45.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.362 . . . . 0.0 110.726 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.55 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.175 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.7 mtt180 -70.87 -32.71 69.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.868 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -66.78 -51.45 55.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.005 -179.916 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -46.36 84.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.687 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.3 98.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.436 -179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -54.62 -32.46 58.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.032 -179.833 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -53.38 -48.05 68.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.795 179.571 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -65.88 -18.67 65.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.489 179.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.14 22.4 9.98 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.594 179.769 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.473 HG11 ' HB3' ' A' ' 123' ' ' LEU . 16.9 m -123.03 176.5 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.301 0.572 . . . . 0.0 112.253 -179.804 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -119.94 134.16 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.738 179.115 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.569 ' HD1' HG22 ' A' ' 125' ' ' VAL . 30.0 t80 -101.51 144.49 30.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.096 0.474 . . . . 0.0 111.544 -179.331 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.6 t -141.4 151.06 19.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.459 -179.876 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -91.06 141.45 28.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.526 HG22 ' HB2' ' A' ' 164' ' ' ASN . 25.9 p -152.38 158.43 42.68 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.026 0.441 . . . . 0.0 111.599 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 63.0 m -122.43 111.19 16.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.626 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.4 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -67.28 -5.76 15.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.341 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.432 ' NZ ' ' HB2' ' A' ' 160' ' ' LYS . 0.0 OUTLIER -89.31 -43.61 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.731 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 61.9 p -92.31 -4.32 54.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 -179.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.524 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.3 ppt_? 34.7 39.35 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.638 0.586 . . . . 0.0 112.231 179.907 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.61 -56.48 4.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.769 -179.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.526 ' HB2' HG22 ' A' ' 157' ' ' THR . 83.5 m-20 -112.68 19.29 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.743 -179.708 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.4 -47.14 84.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.304 -179.729 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.9 p-10 -73.68 -14.84 61.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.805 0.336 . . . . 0.0 111.082 179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -64.49 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.506 . . . . 0.0 112.029 -179.303 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.502 HG21 HG21 ' A' ' 126' ' ' VAL . 32.1 m -85.51 -27.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.31 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -67.49 -43.87 79.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.896 0.379 . . . . 0.0 110.434 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -71.85 -30.05 65.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.931 179.662 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.16 -52.9 61.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 -179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.8 tp -69.09 -35.11 76.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.072 -179.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 11.0 ttp -54.66 -38.47 66.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -68.12 -34.25 76.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.707 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.48 -34.88 76.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.992 179.882 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.592 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 70.3 mt -64.8 -34.89 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.072 0.463 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -76.1 -47.81 23.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.792 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 97.3 m -87.33 -59.03 2.37 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -178.014 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.86 -53.98 26.98 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -177.244 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 28.9 tptp -60.82 -46.09 91.9 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.647 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -13.26 61.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.528 0.204 . . . . 0.0 111.468 -179.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 46.6 t -65.05 -60.6 2.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.713 0.292 . . . . 0.0 110.631 179.788 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.23 98.12 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.175 179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -140.6 109.49 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.831 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.925 -179.957 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.418 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.852 0.358 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.8 155.2 16.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.654 179.673 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.7 mt -121.46 119.39 31.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.264 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -113.82 106.36 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.484 179.48 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.571 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 90.0 mttt -88.26 124.97 34.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.478 -179.392 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.4 p -121.19 130.45 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.65 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 mm -111.69 120.84 63.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.328 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 96.0 mmm -66.94 94.08 0.3 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.337 179.353 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.8 p -106.47 163.6 4.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 -179.696 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 173.73 -149.64 11.15 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.509 179.84 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -66.22 -47.04 75.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.973 0.416 . . . . 0.0 110.786 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.6 -13.84 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.169 -179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -175.65 86.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.755 179.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' A' ' 93' ' ' PHE . 14.2 m -131.25 -27.52 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.7 0.286 . . . . 0.0 111.026 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 142.9 34.94 0.09 OUTLIER Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.445 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.484 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 45.5 mtmt -58.24 -55.09 39.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 31' ' ' THR . 96.2 p -61.77 -30.83 71.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.154 0.502 . . . . 0.0 111.258 179.898 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -52.36 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.603 -179.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.512 HD11 HG11 ' A' ' 92' ' ' VAL . 1.9 mt -61.1 -25.06 66.7 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.241 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 28' ' ' SER . 59.5 m -68.64 -50.16 53.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 -179.711 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.75 -29.17 69.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.162 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 18.9 mm-40 -74.09 -28.44 61.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.973 0.416 . . . . 0.0 111.207 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -73.6 -50.4 21.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.384 179.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.419 ' HB2' ' HE2' ' A' ' 35' ' ' MET . 46.7 ttm -82.55 -50.29 8.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.224 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -96.02 -21.29 18.08 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 10.3 m-20 59.11 35.94 23.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.073 0.463 . . . . 0.0 110.368 -179.588 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -141.82 128.53 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.651 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' HB2' HE22 ' A' ' 33' ' ' GLN . 81.2 t80 -73.96 114.24 12.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.495 HG12 ' H ' ' A' ' 42' ' ' ASP . 47.3 t -129.4 123.7 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.63 -29.65 70.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' H ' HG12 ' A' ' 40' ' ' VAL . 11.3 m-20 -60.41 148.27 37.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -125.79 168.6 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -134.63 101.71 11.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.741 -179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -48.68 152.39 4.32 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.573 2.182 . . . . 0.0 112.484 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.6 m -112.48 143.52 43.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.425 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -139.91 -47.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.659 179.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -168.76 -11.24 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -74.3 127.63 33.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.4 m -115.99 168.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -114.43 149.05 36.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.5 179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 63' ' ' GLN . 30.9 ttm180 -150.94 137.95 19.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 111.008 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.55 141.75 17.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -80.13 130.29 35.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.7 m -137.24 151.6 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -92.66 138.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 0.0 111.169 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.0 tp -139.74 96.64 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.577 -179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 57.94 31.54 20.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.994 0.426 . . . . 0.0 110.682 -179.674 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.21 -32.12 7.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' HG3' HG13 ' A' ' 62' ' ' VAL . 10.6 tp10 -79.15 116.17 19.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.785 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -85.9 117.42 24.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.437 HG13 ' HG3' ' A' ' 60' ' ' GLU . 34.0 m -136.16 140.88 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.753 179.663 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 26.8 mt-30 -89.22 142.87 27.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.01 -179.541 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.9 tt -112.29 132.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.036 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.571 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 19.8 t70 -107.06 113.97 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.8 mt -106.22 145.19 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 -179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.2 tp -144.26 105.48 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.646 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -57.24 131.18 49.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 61.5 p -131.0 105.08 7.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.375 179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.27 -171.42 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.595 179.565 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 100.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.273 179.714 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.6 mt -72.53 2.77 5.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.679 0.276 . . . . 0.0 111.186 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 57.99 -158.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.9 179.755 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -93.3 124.29 37.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.556 -179.542 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -147.6 140.55 24.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.966 179.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.83 53.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.418 -179.611 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -151.53 11.92 0.61 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.409 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.27 -45.5 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -70.89 -31.24 67.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.8 -31.14 72.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.597 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -50.1 -40.71 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -61.27 -35.73 78.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.4 m-85 -75.29 -19.99 59.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.074 -179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' HA ' ' HB ' ' A' ' 114' ' ' VAL . 75.3 ttt180 -83.76 -38.94 20.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.149 -179.802 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 79.5 p -62.7 -22.13 66.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.53 167.93 24.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.342 179.775 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.53 -48.56 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.81 164.71 16.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.259 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -133.1 148.02 52.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.922 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 tt -132.0 103.01 6.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.212 179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD21 ' HB ' ' A' ' 104' ' ' THR . 12.2 tp -82.0 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.054 -179.267 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG11 HD11 ' A' ' 30' ' ' LEU . 23.1 t -134.88 136.62 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.112 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.633 ' HB3' HG21 ' A' ' 104' ' ' THR . 7.7 p90 -144.13 157.03 44.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.175 178.087 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.0 t -97.43 146.38 25.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.814 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.482 HD13 ' HE ' ' A' ' 136' ' ' ARG . 4.9 pt -76.33 -28.59 18.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.361 179.59 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.47 HG21 HD12 ' A' ' 132' ' ' LEU . 75.5 p -72.61 -20.35 61.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.855 179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -119.47 96.4 5.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.968 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -62.87 -16.24 57.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.612 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -73.28 -26.45 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.679 -179.331 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.2 m -68.3 -44.44 75.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.065 -179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -56.2 -37.78 70.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.443 -179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.1 p -72.69 -54.35 9.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.65 -179.646 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' GLU . . . -59.21 -35.13 73.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD21 ' A' ' 91' ' ' LEU . 4.8 p -60.2 -38.08 82.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.082 0.468 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -73.63 -27.41 61.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.891 178.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 103' ' ' ALA . 10.1 tp10 -65.62 -32.39 73.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.43 179.374 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -79.03 -24.74 43.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.671 179.493 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -49.11 -42.38 39.02 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.007 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -70.48 -33.14 70.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.5 -179.735 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -72.37 -27.35 62.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.015 0.436 . . . . 0.0 110.896 -179.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.56 -43.25 96.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.493 -179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 43.8 mt -67.42 -26.08 66.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.805 -179.553 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -54.64 -50.68 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.716 0.293 . . . . 0.0 111.627 -179.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 83' ' ' PHE . 5.5 m -67.93 -11.94 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.741 -179.594 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 75.3 mmtt -125.98 68.01 1.19 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.806 179.831 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.58 -26.73 27.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.768 179.762 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.4 4.57 52.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.763 179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 44.4 tt0 -120.91 139.72 52.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.776 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.31 -4.95 18.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.182 -179.722 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.495 ' H ' ' HG2' ' A' ' 118' ' ' GLU . 75.3 mmtt -120.7 95.82 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.217 -179.76 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -109.6 109.66 59.79 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -57.04 124.97 17.51 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.234 1.956 . . . . 0.0 112.072 179.691 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 44.1 tp -138.37 156.02 48.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.05 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.5 tp -163.27 129.89 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.279 179.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.681 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.2 p -106.0 143.89 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.51 -179.078 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.477 HG13 HG13 ' A' ' 92' ' ' VAL . 9.8 p -148.57 154.99 9.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.223 179.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -121.01 106.51 1.14 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.017 179.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -81.67 -169.73 2.47 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 -179.413 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm 59.24 18.62 6.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.2 t -63.34 -10.84 18.31 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -59.48 -14.32 12.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.089 0.471 . . . . 0.0 110.394 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD13 ' HD3' ' A' ' 135' ' ' ARG . 22.2 mt -114.09 86.84 2.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.57 179.685 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.524 ' HG2' HH22 ' A' ' 136' ' ' ARG . 44.0 mt-10 -72.68 -24.45 61.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.176 -179.699 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -82.43 -35.52 27.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.909 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' A' ' 132' ' ' LEU . 38.8 mtp180 -87.89 15.94 6.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.105 -179.879 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.524 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.0 ttm180 -87.55 109.23 19.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.393 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -90.75 -28.51 18.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.418 -179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.8 t -93.28 110.26 45.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.414 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.54 142.45 90.14 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.193 1.929 . . . . 0.0 111.534 179.243 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 12.6 p -59.26 -38.01 72.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.47 -179.599 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -65.52 -43.56 89.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.435 -179.446 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.92 -45.26 93.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.369 -179.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -58.15 -48.61 79.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.647 -179.514 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.509 ' HG2' ' HB3' ' A' ' 154' ' ' TYR . 95.8 mtt180 -60.5 -44.73 95.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.77 -179.665 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.7 t -56.17 -39.93 73.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.583 -179.442 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.33 -48.52 15.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.565 -179.276 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.681 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.78 -28.6 69.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.714 -179.121 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.588 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -56.33 -27.38 55.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 179.422 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -81.34 -15.49 55.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.035 -179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 95.56 24.78 15.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.961 -179.671 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.87 177.91 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.127 0.489 . . . . 0.0 111.454 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -122.78 132.23 54.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.127 179.549 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.633 ' HD1' HG22 ' A' ' 125' ' ' VAL . 47.0 t80 -96.47 141.98 29.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.158 0.504 . . . . 0.0 111.817 -179.205 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 152.13 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.851 179.568 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.19 138.85 31.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 63.1 p -146.47 160.44 42.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.438 -179.453 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 66.2 p -125.19 109.01 12.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.752 179.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.414 ' HB3' ' O6 ' ' A' ' 500' ' ' GNP . . . -71.11 6.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.589 -179.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -97.63 -52.76 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.627 179.815 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 30.3 p -86.83 5.05 38.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.822 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? 36.15 37.42 0.05 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 -179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.3 -55.93 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.73 -179.589 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.8 m-20 -112.26 23.86 13.2 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.497 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.1 p -68.29 -39.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.707 179.632 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 169' ' ' PHE . 6.7 p-10 -73.97 -14.91 61.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.144 179.551 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 48.1 tptt -56.65 -37.88 71.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.967 -179.304 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 165' ' ' VAL . 21.2 m -75.98 -30.73 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.868 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . 0.421 ' HD2' ' HA ' ' A' ' 166' ' ' ASP . 98.8 m-85 -74.39 -45.62 45.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.111 -179.508 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -72.16 -44.24 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.58 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.2 -53.78 54.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.699 0.285 . . . . 0.0 110.985 -179.783 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 176' ' ' ILE . 49.5 tp -61.75 -33.4 73.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 50.3 ttm -54.44 -42.64 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.6 mtm180 -68.7 -35.03 76.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -70.52 -26.4 63.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.662 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 172' ' ' LEU . 97.3 mt -72.25 -49.72 41.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.306 -179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 181' ' ' MET . 11.9 ptm180 -73.38 -24.68 60.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 -179.547 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.1 m -88.46 -60.05 2.07 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -71.59 -54.45 10.4 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.375 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.69 -53.73 53.82 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.8 mmt -60.86 -17.23 49.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.609 0.243 . . . . 0.0 111.581 -179.085 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 39.9 t -69.13 -50.14 50.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.764 0.316 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 58.24 21.0 7.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.095 179.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 47.5 t30 58.37 93.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.442 -0.789 . . . . 0.0 111.097 179.961 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.421 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.16 -176.16 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD23 HE21 ' A' ' 63' ' ' GLN . 1.0 OUTLIER -134.11 97.43 3.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.617 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -105.53 120.17 40.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 50.2 mttp -104.27 137.09 42.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -117.97 125.87 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.604 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -108.25 115.4 49.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 15.4 mmt -67.52 97.04 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.824 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.9 p -106.6 167.07 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.32 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 151.27 -148.42 19.48 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.344 -0.931 . . . . 0.0 112.911 179.874 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.765 ' N ' HG22 ' A' ' 104' ' ' THR . 29.0 t -56.35 -63.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.958 0.408 . . . . 0.0 111.082 -179.511 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.77 37.32 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.381 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.11 84.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.457 -179.881 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.07 -34.4 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.361 -179.833 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.93 35.82 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 -179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' ' H ' ' A' ' 28' ' ' SER . 15.6 ptpt -65.94 -56.51 11.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 111.204 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.538 ' O ' ' HB ' ' A' ' 31' ' ' THR . 73.6 p -54.91 -30.05 57.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.18 0.514 . . . . 0.0 110.864 179.593 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.87 -52.8 61.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.701 -179.416 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD11 HG11 ' A' ' 92' ' ' VAL . 3.5 mt -61.96 -25.17 67.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.437 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.591 HG23 HG21 ' A' ' 66' ' ' ILE . 88.7 m -65.8 -47.92 73.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.21 -179.664 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.02 -36.41 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.039 -179.789 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.586 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.1 mm100 -60.08 -39.13 85.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -72.28 -25.02 61.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.559 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.1 tpp -81.43 -49.42 10.66 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -178.158 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -119.93 -1.7 10.41 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.3 m-20 56.94 38.24 29.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.895 -179.717 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -148.91 143.57 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.847 -179.669 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -87.19 106.66 18.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.702 179.809 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -147.59 141.18 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -75.66 133.4 40.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -138.96 -61.73 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.9 t80 58.67 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -112.63 144.97 32.0 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.52 158.01 47.91 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.509 2.14 . . . . 0.0 112.15 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -127.46 122.55 33.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -149.89 -44.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.428 179.899 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -169.41 -16.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -77.74 125.6 29.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.476 ' HB3' HD13 ' A' ' 67' ' ' LEU . 65.2 p -126.93 176.79 7.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -102.63 163.12 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.587 -179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -150.97 133.32 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.962 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 64' ' ' ILE . 37.6 ttpt -151.18 157.3 42.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.431 -179.885 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -121.59 125.93 47.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.064 0.459 . . . . 0.0 111.354 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.2 m -135.52 137.59 49.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.649 179.712 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.85 144.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.702 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.2 tp -138.08 97.7 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 55.26 30.79 15.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.72 29.45 8.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.747 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -152.61 113.14 4.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.835 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -82.72 115.19 21.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.738 179.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.4 m -112.17 169.48 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.338 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.41 HE21 HD23 ' A' ' 14' ' ' LEU . 21.2 mt-30 -106.53 118.77 37.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.515 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 53' ' ' LYS . 13.6 tt -105.43 132.51 52.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.798 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.467 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.1 t70 -118.46 116.68 27.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.525 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 31' ' ' THR . 57.2 mt -108.69 137.3 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.716 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 50' ' ' SER . 40.1 tp -139.13 105.26 5.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.5 116.59 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.822 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.1 p -84.61 -26.91 27.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.449 -179.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.6 -168.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.02 111.55 3.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.335 179.743 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.588 HD22 ' HG2' ' A' ' 79' ' ' ARG . 6.9 mp -73.62 -39.14 64.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.588 0.232 . . . . 0.0 110.963 -179.901 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 64.97 -80.28 0.03 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.397 179.889 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.11 -159.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.282 -179.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.485 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 58.6 m-85 66.94 129.79 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.304 179.897 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.35 -53.81 7.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.599 -179.612 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.06 10.99 2.61 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -179.57 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 46.7 mm -61.68 -17.78 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.175 0.512 . . . . 0.0 110.44 179.496 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.588 ' HG2' HD22 ' A' ' 72' ' ' LEU . 65.0 mtm180 -60.35 -38.24 83.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.012 179.648 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -56.17 -32.8 64.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.422 -179.706 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -52.03 -52.99 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.641 -179.598 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -62.71 -42.36 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.664 -179.343 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -62.94 -19.18 64.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.218 -179.694 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -79.62 -48.17 14.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.134 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.7 t -68.55 -7.6 34.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 -179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -97.82 136.33 12.67 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -95.04 -7.73 38.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -139.32 155.75 24.19 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.22 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -132.8 138.4 47.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.3 . . . . 0.0 111.065 -179.753 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -127.18 109.59 12.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.978 179.699 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.6 OUTLIER -82.82 103.83 12.59 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.461 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 126' ' ' VAL . 4.0 t -111.44 137.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.942 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.579 ' HB3' HG21 ' A' ' 104' ' ' THR . 12.1 p90 -153.47 146.4 24.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 178.517 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t -83.07 145.3 29.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.004 -179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.616 HG12 ' HB3' ' A' ' 129' ' ' LYS . 31.0 pt -76.02 -32.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 38.3 p -74.34 -5.29 41.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.551 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -124.65 89.1 3.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.727 179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -63.1 -17.2 62.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 179.874 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -73.57 -26.6 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.78 -179.438 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 104' ' ' THR . 25.3 m -70.99 -51.56 24.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.648 -179.189 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -49.09 -42.99 40.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.51 -179.46 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.5 p -71.07 -42.2 69.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.568 -179.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -33.37 75.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.765 HG22 ' N ' ' A' ' 22' ' ' SER . 44.9 p -66.42 -34.55 78.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.191 0.52 . . . . 0.0 110.19 179.479 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.02 -36.68 68.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.07 -179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 16.7 mm-40 -64.1 -45.91 86.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 179.727 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.89 -24.94 67.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.524 -179.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -50.01 -52.34 34.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.4 -179.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 106' ' ' GLU . 13.0 pt-20 -70.67 -34.85 72.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.579 -179.747 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.496 HE22 HH22 ' A' ' 79' ' ' ARG . 50.1 mt-30 -58.51 -24.66 61.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.023 0.44 . . . . 0.0 110.847 -179.613 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.81 -37.02 77.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.898 179.756 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.7 mt -68.05 -26.23 65.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.85 -0.614 . . . . 0.0 112.0 -179.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.487 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 20.7 mmm180 -50.67 -50.36 54.99 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.748 0.309 . . . . 0.0 111.617 -179.161 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.521 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.5 m -73.07 -18.58 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.829 -179.545 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 118' ' ' GLU . 74.6 mmtt -115.83 45.01 1.8 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.046 -179.811 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.37 -21.02 66.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.326 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.5 OUTLIER -102.25 -29.95 11.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.542 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 11.2 tp10 -80.56 125.9 30.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.57 -56.43 4.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 -179.917 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -69.58 120.6 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.5 mm -118.71 105.99 44.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.377 -179.635 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -70.09 121.59 8.21 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.343 2.029 . . . . 0.0 111.785 179.49 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.0 tp -148.12 161.72 40.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 44.3 tp -161.01 131.22 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.169 179.446 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.66 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.0 p -100.91 143.06 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.257 -179.303 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 92' ' ' VAL . 15.0 p -142.4 149.22 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.59 -179.594 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.75 106.18 1.35 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.863 179.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -79.92 -172.3 3.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.75 0.309 . . . . 0.0 110.659 -179.364 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.616 ' HB3' HG12 ' A' ' 95' ' ' ILE . 10.2 tppt? 60.51 14.8 5.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.343 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.2 t -57.41 -18.46 18.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.389 -179.383 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -58.38 -22.18 52.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.709 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 50.9 mt -106.71 82.88 1.77 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -72.82 -33.02 65.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.995 -179.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -76.24 -10.97 59.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.059 -179.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.507 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 99.8 mtt180 -114.98 12.47 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.211 -179.782 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 42.9 ttm180 -77.81 110.44 12.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.459 179.703 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -87.18 -32.34 19.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.29 -179.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.93 105.49 24.15 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.471 -179.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.04 135.69 64.37 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.089 1.86 . . . . 0.0 111.405 179.129 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 4.9 p -52.34 -45.2 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.667 -179.281 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -54.54 -48.58 71.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.514 -179.369 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.27 -40.24 93.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 -179.817 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -65.62 -28.75 69.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 59.3 mtt180 -76.12 -39.74 54.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.298 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.6 t -63.89 -41.17 97.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.809 -179.026 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.41 -47.57 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.742 0.306 . . . . 0.0 111.312 -179.342 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.66 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -66.14 -33.78 76.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.869 -179.33 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -58.22 -32.0 67.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -39.91 62.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.404 ' CZ3' HD22 ' A' ' 91' ' ' LEU . 10.5 m0 -68.08 -24.63 65.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 105.71 24.86 6.81 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.199 -179.703 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.8 m -126.32 165.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.949 0.404 . . . . 0.0 111.628 -179.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -106.9 139.57 41.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.847 178.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.611 ' HD1' HG22 ' A' ' 125' ' ' VAL . 48.2 t80 -104.08 139.38 39.25 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.116 0.484 . . . . 0.0 111.619 -179.335 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 44.5 t -135.33 153.09 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.861 179.745 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -89.83 138.18 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.226 179.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.3 p -145.57 154.8 42.56 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.122 0.487 . . . . 0.0 112.018 -178.883 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 160' ' ' LYS . 21.2 t -129.0 111.2 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.35 179.25 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -69.31 7.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.452 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 158' ' ' SER . 29.1 tptp -99.46 -54.03 3.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.795 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 6.3 t -90.16 3.7 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.091 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.466 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 34.55 43.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.107 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.51 -56.14 4.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.324 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.556 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 4.4 m-20 -112.18 23.35 13.78 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.35 179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.586 HG21 ' HB2' ' A' ' 33' ' ' GLN . 7.6 p -66.13 -42.6 91.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.418 179.449 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.87 -16.73 61.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.503 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.556 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 20.2 tptm -57.1 -31.82 65.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.117 -179.306 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.2 m -84.53 -27.2 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.263 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -75.21 -46.87 31.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.771 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -72.22 -39.47 68.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.639 -179.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.33 -53.68 48.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.764 0.316 . . . . 0.0 111.345 -179.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 176' ' ' ILE . 52.0 tp -62.14 -32.73 73.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 43.6 ttm -55.99 -45.86 78.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 -179.742 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.481 ' HD2' ' HD3' ' A' ' 177' ' ' ARG . 23.9 mmm180 -68.39 -35.84 78.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.355 -179.754 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.93 -32.03 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.484 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 96.4 mt -71.66 -46.97 59.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.464 -179.547 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.481 ' HD3' ' HD2' ' A' ' 174' ' ' ARG . 11.9 ptm180 -74.38 -25.94 59.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.856 -179.21 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 91.2 m -87.7 -59.42 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -70.97 -54.6 10.74 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 -177.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 86.7 tttt -61.76 -56.84 15.31 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.342 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -54.2 -18.08 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.133 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 38.1 m -83.69 -40.0 19.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.681 0.277 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 59.94 -179.93 0.09 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.074 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -103.66 132.18 50.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 179.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.932 179.971 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.813 0.34 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -155.52 100.71 2.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.117 179.776 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.8 tp -83.98 104.42 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.81 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -103.92 124.71 49.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.692 179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -92.44 129.14 38.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.469 -179.371 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -124.1 139.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.009 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -109.59 125.72 66.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.027 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.465 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.25 105.33 12.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.549 179.738 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.506 HG13 ' HA ' ' A' ' 91' ' ' LEU . 14.1 p -117.94 162.48 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.491 ' HA2' HD22 ' A' ' 91' ' ' LEU . . . 160.3 87.28 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.542 -0.837 . . . . 0.0 113.067 -179.768 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.501 ' N ' HG22 ' A' ' 104' ' ' THR . 29.3 t 59.62 -84.28 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.793 0.33 . . . . 0.0 111.367 179.481 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.7 -49.79 0.09 OUTLIER Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.413 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -122.29 64.11 0.52 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.16 179.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.498 HG12 HD21 ' A' ' 128' ' ' ASN . 93.8 t -108.98 -48.85 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 0.0 111.233 -179.664 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.93 37.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.304 -179.789 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HD2' ' O ' ' A' ' 19' ' ' MET . 26.5 mtmm -53.08 -36.69 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.158 0.504 . . . . 0.0 110.84 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.514 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.3 p -72.49 -29.16 63.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.978 179.647 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.06 -52.34 65.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.164 -179.022 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.637 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.5 mm? -62.71 -25.37 68.14 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 178.444 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.7 m -66.38 -57.38 7.56 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.595 -179.414 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.9 mt -59.27 -30.15 68.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.628 -179.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' HB2' HG21 ' A' ' 165' ' ' VAL . 15.1 mm100 -72.69 -40.12 66.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 111.105 -179.649 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -73.04 -35.09 66.67 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.5 mtp -82.45 -49.46 9.92 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 -178.429 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -99.74 -20.16 16.39 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.478 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 7.8 m-20 61.24 33.91 18.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.184 0.516 . . . . 0.0 110.086 -179.164 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -147.75 134.86 20.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.65 -179.567 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -89.26 108.7 19.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.203 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.5 t -136.44 135.6 49.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.711 179.641 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -76.71 108.21 9.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.976 -179.78 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -161.44 141.71 10.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -111.55 141.59 44.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -140.65 102.98 6.43 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.743 -179.921 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.41 154.13 31.23 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.422 2.081 . . . . 0.0 112.678 -179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -82.19 103.35 11.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -99.34 33.55 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 62.5 15.71 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.283 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -106.7 126.23 52.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.707 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.0 p -99.36 176.09 5.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.016 -179.808 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -107.3 162.29 14.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.692 179.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -141.23 130.44 23.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.011 0.434 . . . . 0.0 111.299 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -165.31 152.06 10.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.955 179.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HE3' ' OE1' ' A' ' 61' ' ' GLU . 5.5 pttt -133.73 137.39 45.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.895 0.378 . . . . 0.0 111.094 -179.705 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.0 m -138.56 160.54 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.242 -179.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.2 p -73.67 144.56 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 -179.859 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD22 ' SD ' ' A' ' 173' ' ' MET . 45.2 tp -135.96 99.62 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.0 t70 54.16 30.97 13.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.16 -48.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.786 179.855 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -86.35 117.06 24.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.595 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.1 tt0 -84.34 114.99 22.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 m -117.12 152.11 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -86.54 164.42 16.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.926 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.8 tt -149.05 146.32 17.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.901 0.382 . . . . 0.0 111.354 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -128.06 120.21 26.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.669 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.0 mt -116.28 143.47 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.182 -179.792 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 51.1 tp -131.51 118.76 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.803 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.91 128.25 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.508 179.733 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.9 p -118.25 150.35 39.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.458 -179.686 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.92 -166.78 1.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.989 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.91 95.4 0.07 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.318 179.69 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.498 HD22 ' HA ' ' A' ' 79' ' ' ARG . 83.1 mt -79.26 4.72 14.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.658 0.265 . . . . 0.0 111.337 -179.643 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -87.54 16.15 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.077 -179.85 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -114.22 -12.46 12.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.086 -179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -96.26 150.35 20.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.81 14.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.335 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -142.74 -12.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.239 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 67.6 mt -57.69 -19.97 13.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.194 0.521 . . . . 0.0 110.304 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.498 ' HA ' HD22 ' A' ' 72' ' ' LEU . 18.8 ttp180 -60.43 -45.39 93.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.998 179.65 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.61 -30.84 71.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.483 -179.631 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -51.39 -38.12 51.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.487 -179.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -69.51 -32.39 71.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.301 -179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -81.02 -18.68 45.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.165 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 53.2 ttp180 -83.14 -24.07 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.772 -179.917 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -94.15 13.91 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.858 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -127.96 150.82 18.48 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.81 -179.823 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -98.94 -37.97 9.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.851 0.357 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.485 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -108.24 159.55 14.25 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.478 -179.877 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -138.8 129.76 26.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD11 HG23 ' A' ' 168' ' ' VAL . 1.1 tt -120.45 103.47 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.636 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.1 tm? -82.94 129.31 35.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.753 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' N ' HD13 ' A' ' 91' ' ' LEU . 85.5 t -141.62 120.61 10.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 111.859 -179.78 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.613 ' HB3' HG21 ' A' ' 104' ' ' THR . 14.7 p90 -121.88 151.25 40.89 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.449 178.895 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.3 t -89.15 135.16 33.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.33 -179.833 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.473 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 25.7 pt -70.27 -32.14 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.677 179.557 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 43.7 p -72.98 -20.84 60.95 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.533 179.53 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -114.62 97.72 6.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.649 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -62.77 -16.23 56.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 -179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.21 -26.7 62.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.51 -179.559 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.452 ' OG ' HG22 ' A' ' 25' ' ' VAL . 17.8 m -69.99 -53.76 16.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.043 -179.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -51.06 -40.1 57.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.545 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 47.3 p -72.79 -54.01 10.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.457 -179.09 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.3 81.9 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.363 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.636 ' HB ' HD11 ' A' ' 91' ' ' LEU . 17.2 p -56.54 -31.76 64.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.049 179.857 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.35 -31.64 71.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -68.53 -44.7 74.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.429 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -63.22 -25.37 68.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.035 179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -48.98 -47.31 44.32 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.913 0.387 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 43.8 mt-10 -70.63 -40.57 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -56.15 -33.28 65.05 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.955 -179.727 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.6 -46.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.4 mt -68.72 -26.6 65.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.652 179.685 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 39.3 mmt180 -55.75 -50.67 69.78 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.6 m -64.51 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.739 -179.23 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.531 ' HG2' HG23 ' A' ' 114' ' ' VAL . 0.9 OUTLIER -132.3 77.91 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 111.273 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.96 -33.48 22.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.627 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.79 -38.69 82.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -66.19 101.39 0.71 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.35 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -57.78 -29.56 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.042 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -107.49 118.04 35.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.093 -179.864 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 30.3 mm -123.2 107.88 32.4 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.562 179.723 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.485 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 18.0 Cg_endo -58.13 110.52 0.65 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.351 2.034 . . . . 0.0 112.154 -179.733 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.46 153.72 46.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -164.95 123.44 1.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.326 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.607 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.3 p -103.66 142.21 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.066 0.46 . . . . 0.0 111.725 -179.483 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 168' ' ' VAL . 16.8 t -144.47 152.37 15.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.625 179.75 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.05 137.02 11.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.324 179.836 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.498 HD21 HG12 ' A' ' 25' ' ' VAL . 37.5 p30 -102.65 -167.64 1.42 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.416 ' O ' HD11 ' A' ' 95' ' ' ILE . 41.6 mmtm 63.74 17.37 10.42 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.001 -179.873 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.538 ' HA ' HH21 ' A' ' 136' ' ' ARG . 47.9 t -57.62 -14.25 5.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.41 -179.709 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -77.59 6.6 6.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.882 0.372 . . . . 0.0 110.737 179.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.558 HD13 ' HD3' ' A' ' 135' ' ' ARG . 33.7 mt -130.74 74.5 1.6 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.622 -179.845 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.81 -38.11 67.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.532 -179.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.18 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.459 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.558 ' HD3' HD13 ' A' ' 132' ' ' LEU . 41.7 mtp180 -109.39 -29.45 8.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.963 -179.82 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.538 HH21 ' HA ' ' A' ' 130' ' ' SER . 47.0 ttm105 -40.76 108.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.214 -178.881 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.409 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 8.1 tp-100 -82.59 -32.76 28.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.281 -179.442 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -95.11 107.11 29.81 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.156 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 43.6 Cg_exo -56.45 126.71 23.19 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 121.957 1.771 . . . . 0.0 111.315 179.388 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.01 -43.32 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.213 -179.653 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.0 -49.65 77.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -60.88 -29.3 69.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.755 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -77.27 -29.26 53.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 76.8 mtt180 -76.86 -38.46 53.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -62.63 -36.88 84.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.95 -179.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.519 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.6 tmmm? -77.4 -47.95 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.421 179.84 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -52.55 -38.95 60.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.558 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.31 -32.09 68.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.649 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -51.99 -48.07 64.59 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.838 0.351 . . . . 0.0 110.981 179.684 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.519 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.0 m0 -65.55 -18.97 65.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.685 179.841 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.52 13.41 32.77 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.107 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 17.2 m -114.86 -176.32 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.144 0.497 . . . . 0.0 111.463 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -125.89 130.27 50.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.69 179.05 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.607 ' HD1' HG22 ' A' ' 125' ' ' VAL . 29.3 t80 -94.92 131.28 41.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.0 0.429 . . . . 0.0 111.207 -179.371 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 126' ' ' VAL . 8.0 p -126.26 154.02 35.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.583 -179.7 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -90.06 147.17 23.81 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.56 179.657 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.522 HG22 ' HB2' ' A' ' 164' ' ' ASN . 37.6 p -150.95 168.03 25.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.95 0.405 . . . . 0.0 111.485 -179.524 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -136.03 108.69 7.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.684 179.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.475 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -69.39 -4.38 18.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.01 -42.37 8.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 71.1 p -95.01 -0.37 53.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 34.26 41.86 0.06 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.976 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.93 -55.81 5.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.913 -179.517 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.522 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.3 m-20 -111.79 9.33 20.78 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.172 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.8 p -58.18 -40.45 77.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.977 -179.863 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.89 -32.95 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.281 179.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -56.65 -31.45 64.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.969 -179.094 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.3 m -73.63 -30.57 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 0.0 111.524 -179.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -74.52 -40.13 61.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.845 179.834 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -72.48 -35.93 68.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.318 179.876 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' OD1' HD11 ' A' ' 124' ' ' LEU . 15.8 t70 -61.97 -50.91 70.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.758 0.313 . . . . 0.0 110.668 -179.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 124' ' ' LEU . 67.3 tp -65.57 -32.22 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.598 179.62 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 57' ' ' LEU . 46.6 ttm -54.68 -45.76 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.471 -179.756 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.61 -36.24 83.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.11 -179.651 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.12 -49.75 75.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.066 -179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.546 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 53.7 mt -58.63 -31.88 44.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.519 -179.668 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -75.06 -55.27 5.91 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -179.315 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.2 m -87.56 -58.92 2.4 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 -178.401 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -60.65 -54.32 46.78 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -177.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.546 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 27.9 tptp -62.07 -58.17 8.83 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -178.659 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 25.9 mmt -56.63 -15.89 5.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 36.9 t -70.38 -60.67 2.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.711 0.291 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 64.06 159.0 0.09 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 179.904 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -88.96 -14.39 36.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.802 179.962 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.4 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.37 140.77 30.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 179.506 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.5 tp -114.47 112.47 23.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -104.07 123.31 47.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.14 144.23 27.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG21 HD11 ' A' ' 64' ' ' ILE . 2.9 t -121.36 118.39 55.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.19 105.75 19.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 0.0 110.744 179.337 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.597 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -62.93 98.36 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG13 ' HA ' ' A' ' 91' ' ' LEU . 9.5 p -103.58 156.32 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.752 179.678 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.404 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.87 -161.81 26.74 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.359 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 59.5 p -64.53 -45.35 87.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.401 . . . . 0.0 110.688 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.56 31.81 0.3 Allowed Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.23 69.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.295 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 53.0 t -127.07 -31.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.113 -179.678 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.15 36.99 0.52 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.409 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 18.2 ptpt -54.7 -34.42 62.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 0.0 110.935 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.4 p -66.95 -29.74 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.199 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.22 -52.6 63.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -60.05 -25.16 65.13 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 28' ' ' SER . 23.2 m -69.08 -57.36 5.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.769 -179.255 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.65 -29.59 66.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.956 -179.198 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 15.3 mm100 -70.31 -43.12 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.824 0.345 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -72.98 -28.7 62.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.664 0.269 . . . . 0.0 111.481 179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.423 ' SD ' HD12 ' A' ' 66' ' ' ILE . 94.0 mmm -82.1 -49.67 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -178.398 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -117.87 -15.47 10.02 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.237 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 59.8 60.12 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.77 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' HG3' HG23 ' A' ' 40' ' ' VAL . 8.7 tp10 -160.83 127.26 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -89.08 106.04 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.49 HG23 ' HG3' ' A' ' 38' ' ' GLU . 95.8 t -143.17 140.54 26.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.55 108.79 0.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.777 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -164.67 156.47 15.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.102 -179.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -155.86 152.66 28.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -140.43 119.0 8.4 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.8 149.73 40.01 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.405 2.07 . . . . 0.0 112.442 179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 58.5 m -90.34 122.88 33.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -142.13 -60.41 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.632 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -166.05 7.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -73.28 130.29 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.236 -179.716 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -137.25 149.71 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.73 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -96.46 159.63 14.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.563 179.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -151.04 134.25 16.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 0.0 111.093 179.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -163.4 160.49 23.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.805 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 57.6 mtpt -115.4 130.07 56.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -136.33 145.66 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.5 p -82.73 135.32 25.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.53 HD11 ' HG2' ' A' ' 174' ' ' ARG . 56.9 tp -136.32 111.0 8.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.729 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' HB2' HH22 ' A' ' 177' ' ' ARG . 21.3 t70 57.37 31.07 19.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.161 0.505 . . . . 0.0 110.594 -179.818 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.37 -30.53 8.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.62 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -92.83 114.02 26.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 44.1 tt0 -82.48 117.71 22.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.786 179.767 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.0 149.78 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 21.9 mt-30 -80.74 158.44 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.233 179.817 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.427 HD11 HG21 ' A' ' 17' ' ' VAL . 11.9 tt -144.87 126.08 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.118 0.485 . . . . 0.0 111.573 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -111.63 113.19 25.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.166 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 HD12 ' SD ' ' A' ' 35' ' ' MET . 75.4 mt -101.38 126.85 55.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 111.33 -179.484 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD13 ' N ' ' A' ' 68' ' ' ASP . 1.6 tm? -96.96 133.9 41.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.49 ' N ' HD13 ' A' ' 67' ' ' LEU . 27.0 t70 -52.44 -71.58 0.07 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.6 -179.331 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.439 ' OG1' HD12 ' A' ' 67' ' ' LEU . 29.0 m 66.97 144.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.178 -179.762 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -140.23 177.82 7.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.43 108.46 2.95 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.327 179.895 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -87.42 -72.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.722 0.296 . . . . 0.0 110.996 -179.778 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 59.37 18.03 6.41 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -136.41 -164.12 1.51 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 61.44 -177.5 0.12 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.13 -54.17 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.161 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -167.19 28.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.317 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.537 ' HA ' HD22 ' A' ' 81' ' ' ASN . 50.6 mm -56.17 -20.56 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 179.847 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -57.08 -49.09 76.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 179.582 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.23 -39.59 72.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.837 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.537 HD22 ' HA ' ' A' ' 78' ' ' ILE . 32.7 m-80 -53.58 -34.73 59.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.644 -179.64 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -76.87 -39.66 50.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -69.55 -17.05 63.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.402 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -84.28 -22.04 30.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.064 -179.839 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.6 m -85.5 13.45 6.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.514 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.5 167.34 25.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.797 179.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -109.48 -45.9 3.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.753 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.98 152.3 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.422 179.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -128.37 141.03 51.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 124' ' ' LEU . 20.1 tp -133.03 108.8 9.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.325 179.369 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.1 tp -82.44 137.7 34.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.898 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.1 t -141.04 126.02 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.397 179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.448 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.1 p90 -137.55 150.71 47.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.168 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 p -89.07 133.28 34.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.21 -179.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.521 HD11 ' O ' ' A' ' 129' ' ' LYS . 30.7 pt -71.76 -24.87 23.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.422 179.494 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.426 HG21 HD12 ' A' ' 132' ' ' LEU . 73.1 p -72.05 -24.31 61.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.667 179.462 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -117.78 104.39 10.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -62.27 -15.88 50.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -72.1 -26.67 62.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.164 -179.165 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 22' ' ' SER . 80.7 p -70.62 -54.25 12.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.506 -179.251 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -57.53 -34.21 68.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 111.346 -179.675 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 41.0 p -72.79 -54.0 10.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.343 -179.188 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -61.29 -41.13 96.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 -179.616 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.657 ' HB ' HD21 ' A' ' 91' ' ' LEU . 16.5 p -54.56 -31.03 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.673 179.2 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -64.54 -36.0 82.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.446 -179.457 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.7 -40.85 92.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.959 179.82 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.415 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 21.8 m-85 -53.33 -23.04 8.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.0 -179.764 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.556 ' HA ' ' HE ' ' A' ' 108' ' ' ARG . 0.0 OUTLIER -46.56 -46.8 19.66 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.781 0.324 . . . . 0.0 111.07 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.16 -43.35 67.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.597 -179.832 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 1.7 mp0 -56.02 -36.0 67.48 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.322 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.59 -43.05 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.657 0.265 . . . . 0.0 111.682 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.6 mt -67.81 -26.78 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 23.6 mmt180 -53.88 -49.55 68.29 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 111.614 -179.502 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.51 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -72.76 -29.81 31.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.083 -0.508 . . . . 0.0 112.175 -179.177 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.51 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -111.31 63.78 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.897 0.379 . . . . 0.0 111.403 -179.553 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -85.28 -17.85 35.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.046 179.559 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -97.1 -4.43 39.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.024 -179.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -108.12 124.88 50.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -77.27 -47.36 20.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 179.779 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 1.1 mptm? -88.12 110.79 20.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 39.4 mm -108.53 104.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.085 -179.775 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.02 133.5 33.59 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.245 1.963 . . . . 0.0 112.121 179.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 124' ' ' LEU . 57.3 tp -153.22 159.2 42.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 -179.805 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 90' ' ' LEU . 42.1 tp -163.01 118.0 1.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.997 179.376 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.609 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -87.51 142.35 13.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.994 0.425 . . . . 0.0 111.331 -179.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 t -137.21 146.34 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.778 -179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -116.75 125.24 6.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.252 179.707 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -96.03 -174.5 3.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.855 0.36 . . . . 0.0 110.583 -179.638 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.521 ' O ' HD11 ' A' ' 95' ' ' ILE . 32.8 mmtp 57.62 18.18 4.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.377 179.897 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 51.8 p -56.93 -32.42 65.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 111.033 -179.664 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -52.95 -20.46 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.855 179.793 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.452 HD13 ' HD3' ' A' ' 135' ' ' ARG . 73.2 mt -103.69 72.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.538 179.6 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.18 -21.49 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.258 -179.67 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.435 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -81.75 -21.33 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.452 ' HD3' HD13 ' A' ' 132' ' ' LEU . 80.2 mtp180 -106.17 12.45 30.17 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.054 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 45.0 ttm180 -76.18 112.46 12.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.815 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -88.06 -29.41 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.4 t -103.73 103.01 34.21 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.078 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.5 139.14 75.23 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.203 1.935 . . . . 0.0 111.771 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -54.62 -45.48 72.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.251 -179.831 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.598 ' HA ' ' HE ' ' A' ' 144' ' ' ARG . 44.4 mt-10 -56.83 -49.92 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.015 -179.823 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.08 -31.07 70.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.547 179.813 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.16 -29.09 60.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.215 -179.744 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.598 ' HE ' ' HA ' ' A' ' 141' ' ' GLU . 77.9 mtm180 -72.14 -42.75 65.64 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.8 t -61.08 -43.71 98.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.43 -179.595 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.3 OUTLIER -73.74 -48.39 32.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.832 -179.56 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.08 -35.88 65.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 111.25 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.3 -31.74 71.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.42 -49.0 62.48 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.768 179.692 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.472 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 26.3 m0 -63.34 -22.57 66.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.701 179.448 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 102.94 18.75 14.4 Favored Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.845 -179.547 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.0 158.74 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.433 -179.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -100.31 135.5 41.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.663 178.916 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.609 ' HD1' HG22 ' A' ' 125' ' ' VAL . 27.1 t80 -98.41 144.73 27.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.08 0.467 . . . . 0.0 111.694 -179.134 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.502 HG21 ' HE2' ' A' ' 167' ' ' LYS . 61.1 t -138.31 152.54 25.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.184 -179.861 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -89.44 144.0 26.39 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.33 179.589 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.4 p -150.5 156.86 42.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.052 0.453 . . . . 0.0 111.893 -178.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 t -137.02 111.94 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.463 179.236 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -62.89 -7.83 5.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.46 -179.733 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -83.56 -53.43 5.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 4.0 t -92.5 -1.07 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.36 -179.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 5.8 ppt_? 33.31 46.32 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.912 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.06 -55.95 4.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.138 -179.472 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -110.77 13.28 22.36 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.1 p -61.81 -47.11 94.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.444 ' N ' HG13 ' A' ' 165' ' ' VAL . 4.3 p30 -73.87 -18.63 60.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.25 179.632 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.502 ' HE2' HG21 ' A' ' 155' ' ' VAL . 1.9 tmtp? -64.28 -33.48 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.817 -178.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 165' ' ' VAL . 15.1 m -82.26 -26.82 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -179.28 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -70.87 -44.09 67.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.756 0.312 . . . . 0.0 110.459 179.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -72.04 -44.59 63.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.033 179.537 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -54.53 -50.03 68.85 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 176' ' ' ILE . 66.2 tp -59.16 -42.2 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.422 ' HE2' HD12 ' A' ' 64' ' ' ILE . 46.5 ttm -54.76 -40.33 69.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.53 ' HG2' HD11 ' A' ' 57' ' ' LEU . 77.6 mtp180 -68.89 -35.72 77.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.049 -179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -71.73 -27.14 62.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.25 -179.742 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.0 mt -72.76 -54.51 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.456 -179.767 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.445 ' HA ' ' HG2' ' A' ' 181' ' ' MET . 18.2 ptt180 -63.55 -26.16 68.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.821 -179.386 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 182' ' ' SER . 88.6 m -87.32 -59.68 2.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.377 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.408 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -71.07 -54.14 12.2 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.342 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -60.08 4.39 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.761 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.445 ' HG2' ' HA ' ' A' ' 177' ' ' ARG . 23.2 mmt -55.67 -21.95 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.028 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.9 t -64.02 -60.71 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.303 . . . . 0.0 110.976 -179.854 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.442 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.4 mt-10 60.06 18.55 7.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.039 -179.829 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 61.67 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.997 179.914 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.69 162.21 25.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 tp -135.54 108.77 7.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.707 179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -107.21 153.79 22.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.1 mttt -128.64 112.35 14.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.022 -179.828 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.04 127.2 53.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 179.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.484 HD11 ' HA3' ' A' ' 86' ' ' GLY . 32.1 mm -92.27 127.01 44.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.033 179.777 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.582 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 1.9 tpt -81.12 76.62 8.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.624 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.8 p -85.29 155.06 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.012 -179.889 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.51 -167.58 35.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.808 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.568 ' HB3' HG23 ' A' ' 25' ' ' VAL . 14.2 t -60.9 -64.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 111.043 -179.917 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.72 -29.67 0.24 Allowed Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.277 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.16 41.32 1.31 Allowed Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.19 -0.529 . . . . 0.0 111.941 179.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG23 ' HB3' ' A' ' 22' ' ' SER . 61.1 t -88.61 -74.86 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.003 0.43 . . . . 0.0 111.42 -179.618 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 162.37 32.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.769 -179.613 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.582 ' HB2' ' HG3' ' A' ' 19' ' ' MET . 41.7 pttt -49.83 -38.21 33.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 0.0 111.437 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HB ' ' A' ' 31' ' ' THR . 80.5 p -68.74 -29.74 68.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.08 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.3 -52.62 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.221 -179.078 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.2 mm? -58.97 -25.14 63.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 178.49 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.578 HG23 HG21 ' A' ' 66' ' ' ILE . 57.7 m -70.45 -46.2 64.32 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.438 -179.648 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.64 -38.51 77.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.39 -179.533 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.527 HE21 ' HB3' ' A' ' 162' ' ' ARG . 12.9 mm100 -60.6 -39.48 88.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.849 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -72.7 -25.47 61.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.121 179.724 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.9 tpp -81.98 -49.84 9.81 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.476 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -122.63 -14.05 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 16.4 m-20 64.73 39.92 6.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -179.82 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -139.9 127.64 21.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.622 179.532 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -86.68 110.79 20.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.8 p -136.69 143.0 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -64.12 -45.32 89.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.726 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.59 130.57 45.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.011 -179.787 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -134.43 -178.3 4.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.099 -179.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -130.39 118.9 18.28 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.557 179.851 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.95 135.43 58.36 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.3 2.0 . . . . 0.0 112.345 179.829 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' ' HB2' ' A' ' 68' ' ' ASP . 26.8 m -91.56 116.02 28.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.05 92.03 2.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.34 21.31 8.16 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.219 179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -114.87 131.64 56.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.1 p -118.24 171.82 7.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 80.8 m-85 -119.44 122.38 41.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -121.46 131.36 54.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 -179.898 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -149.93 135.42 18.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.668 179.775 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -79.97 117.07 20.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.05 142.3 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.992 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.489 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.4 p -75.01 141.18 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.4 tp -142.66 108.11 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.982 -179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.0 t70 57.57 30.9 19.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.775 179.976 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.19 -33.45 6.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.661 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -99.08 119.68 38.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 41.2 tt0 -78.7 118.31 20.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.195 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.5 m -122.78 144.7 31.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.798 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -81.3 132.39 35.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.023 -179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.9 tt -105.7 137.18 36.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.672 179.789 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.8 t70 -122.54 116.38 23.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.052 -179.587 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.578 HG21 HG23 ' A' ' 31' ' ' THR . 70.7 mt -108.71 113.78 44.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.157 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.35 99.37 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.756 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' HB2' ' OG1' ' A' ' 46' ' ' THR . 4.0 m-20 -66.04 176.37 1.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.45 -179.568 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.596 HG21 HD11 ' A' ' 72' ' ' LEU . 15.7 p -146.66 -178.59 6.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -149.12 90.9 1.79 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.15 62.14 2.16 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.049 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.612 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 86.5 mt -51.43 -17.29 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.19 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.57 -7.29 4.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.503 -179.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -87.98 -48.13 8.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.294 . . . . 0.0 111.223 -179.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -59.04 142.56 50.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.83 -52.15 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.46 -10.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.955 179.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 24.1 mt -64.38 -21.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.612 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 12.4 ptp180 -62.88 -34.54 77.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.142 -179.814 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.34 -31.37 72.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.323 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -55.53 -34.66 64.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -70.36 -47.8 59.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.3 -179.536 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 114' ' ' VAL . 64.4 m-85 -63.85 -30.68 71.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.941 0.4 . . . . 0.0 110.721 179.829 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.18 -6.11 59.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.6 t -95.61 3.69 53.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.484 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -136.53 169.07 23.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.568 179.841 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -111.94 -27.66 8.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.489 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.15 166.9 12.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.421 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -138.13 134.14 34.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 111.164 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 168' ' ' VAL . 14.4 tp -124.44 100.24 6.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.709 179.556 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -84.16 104.35 14.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.352 -179.707 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.634 HG23 HG13 ' A' ' 126' ' ' VAL . 11.0 p -111.49 139.71 34.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.857 179.646 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 104' ' ' THR . 4.4 p90 -148.27 164.76 33.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.868 178.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.46 ' OG ' HG13 ' A' ' 25' ' ' VAL . 50.0 m -100.14 149.82 23.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 111.477 -179.495 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.517 HG12 ' HB3' ' A' ' 129' ' ' LYS . 5.8 pt -78.81 -42.42 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.783 -179.861 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 45.2 p -60.45 -29.01 68.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.441 -179.715 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -106.57 99.64 9.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -63.36 -16.83 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.046 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -71.57 -26.39 62.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.198 0.523 . . . . 0.0 110.227 -179.901 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.461 ' HB3' ' HB2' ' A' ' 93' ' ' PHE . 24.9 m -65.47 -53.53 41.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.271 -179.505 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -61.17 -34.21 74.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.799 -179.37 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 p -71.75 -53.83 12.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.946 -179.075 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.23 93.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.712 -179.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' ' 91' ' ' LEU . 10.1 p -57.81 -31.22 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.401 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.14 73.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -66.76 -44.43 81.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.477 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -59.76 -25.27 64.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.078 179.701 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -49.84 -45.86 50.7 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.921 0.391 . . . . 0.0 110.312 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 113' ' ' ARG . 46.5 mt-10 -70.67 -39.43 73.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.917 179.712 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -56.14 -34.23 65.92 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.029 -179.611 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 97.7 mt -58.68 -47.33 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.815 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.6 mt -68.08 -29.9 68.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.648 179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 30.3 mtp180 -60.04 -51.3 70.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.782 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.58 HG23 ' HG2' ' A' ' 115' ' ' LYS . 3.7 m -65.94 -13.55 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.952 0.406 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.58 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.9 mmtt -125.64 64.6 1.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.288 179.637 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.0 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.381 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -102.03 22.63 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.057 0.456 . . . . 0.0 110.395 179.668 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 12.8 pt-20 -56.45 179.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.219 -179.392 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -154.67 -44.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.624 179.491 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -140.31 90.38 2.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.987 179.112 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 40.5 mm -89.39 111.09 43.46 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.677 -179.264 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.489 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 97.3 Cg_endo -80.5 135.18 10.36 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.437 2.091 . . . . 0.0 111.911 179.39 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 53.3 tp -144.8 160.66 40.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.891 0.377 . . . . 0.0 111.169 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 33.0 tp -162.16 126.58 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.233 179.286 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.601 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.2 p -105.91 143.64 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.002 0.43 . . . . 0.0 111.821 -179.024 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.634 HG13 HG23 ' A' ' 92' ' ' VAL . 7.7 p -145.97 140.83 21.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.994 179.421 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -112.83 108.92 2.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.174 179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.3 p-10 -83.2 -161.37 0.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.46 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.517 ' HB3' HG12 ' A' ' 95' ' ' ILE . 11.9 tppt? 65.73 10.7 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -58.99 -10.79 2.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.248 -179.88 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.59 -2.12 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.992 0.425 . . . . 0.0 110.531 179.415 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.501 HD13 ' HD2' ' A' ' 135' ' ' ARG . 63.0 mt -128.72 77.31 1.77 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.828 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -70.5 -35.45 73.23 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.402 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.8 pt-20 -71.71 -9.19 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.154 -179.856 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.501 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.6 mtt180 -116.94 -6.36 11.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.375 -179.809 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.448 ' HE ' HD13 ' A' ' 95' ' ' ILE . 43.9 ttm180 -56.84 107.67 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.415 179.885 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -86.52 -32.55 20.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.207 -179.336 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 50.1 t -92.3 110.48 44.84 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.46 -179.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -62.62 125.46 16.16 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.946 1.764 . . . . 0.0 111.019 178.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -49.99 -44.33 21.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.331 -179.466 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -54.48 -43.71 72.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.286 -179.564 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.17 -53.06 55.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -57.9 -28.9 64.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.326 -179.858 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.1 mtt180 -68.22 -51.07 49.57 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.2 t -56.84 -37.71 71.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.689 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -70.46 -48.47 55.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 179.73 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.418 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.33 -30.49 64.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.572 -179.284 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.15 -32.3 71.55 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.843 -179.553 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -55.83 -36.02 67.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.471 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -77.51 -18.73 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.761 179.581 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.46 15.25 27.94 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.972 -179.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.1 -175.62 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 111.454 -179.765 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -122.13 143.48 49.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.687 178.924 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.601 ' HD1' HG22 ' A' ' 125' ' ' VAL . 26.4 t80 -109.7 124.84 51.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.941 0.4 . . . . 0.0 111.062 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.11 154.4 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.331 -179.737 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -89.05 146.37 24.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 -179.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 32.8 p -149.33 169.22 21.31 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.652 -179.39 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.1 m -138.37 110.98 7.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.62 179.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.406 ' HB2' HD13 ' A' ' 30' ' ' LEU . . . -67.44 -6.58 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.284 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -90.56 -51.18 5.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 60.4 p -86.51 -6.8 58.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.527 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.5 ppt_? 37.0 34.39 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.037 -179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.81 -51.37 10.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.802 -179.538 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -106.49 8.41 31.42 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.414 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.48 HG23 HD12 ' A' ' 30' ' ' LEU . 11.7 p -63.9 -41.15 91.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.074 -179.88 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -71.98 -14.79 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.016 -179.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -67.5 -36.51 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.637 -179.274 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.491 HG21 HD11 ' A' ' 90' ' ' LEU . 3.2 p -76.26 -28.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.727 -178.912 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -71.51 -43.94 65.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -71.98 -42.65 66.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 179.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.66 -51.94 67.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 172' ' ' LEU . 0.9 OUTLIER -58.21 -49.09 78.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.496 179.532 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.458 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 13.6 ttp -53.9 -41.27 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 -179.546 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.69 -37.51 76.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 111.005 179.684 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.42 -32.63 74.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.186 -179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.429 HD11 HD11 ' A' ' 172' ' ' LEU . 86.0 mt -72.84 -50.14 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.38 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 173' ' ' MET . 67.7 mtp180 -58.78 -31.01 68.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.122 -179.723 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.2 m -87.27 -58.71 2.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -179.201 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -69.67 -54.08 15.59 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -177.939 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -60.44 -56.46 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -178.799 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.428 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 23.3 mmt -61.6 -13.04 18.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.766 -179.063 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.4 t -65.71 -57.28 8.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.744 0.307 . . . . 0.0 110.65 179.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 56.24 19.99 4.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.456 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -62.87 129.5 40.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.073 -179.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 24.5 tptm . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.818 179.966 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.42 155.58 40.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.166 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -124.29 116.76 23.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -112.85 149.7 32.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.721 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.4 mttm -128.7 127.0 41.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -114.02 130.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 179.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.5 mm -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -66.91 94.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.751 179.802 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.6 p -102.72 164.04 3.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.603 179.645 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 170.86 -163.29 36.36 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.379 -0.915 . . . . 0.0 112.768 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.416 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 13.9 t -57.28 -49.56 75.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.029 0.442 . . . . 0.0 110.766 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.79 -17.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.279 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.85 90.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.561 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 93' ' ' PHE . 28.1 m -134.64 -0.36 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.746 0.307 . . . . 0.0 111.419 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.42 40.02 2.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.806 179.881 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 35.3 mtmm -64.43 -54.43 32.86 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.89 0.376 . . . . 0.0 110.658 179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 31' ' ' THR . 88.3 p -57.13 -29.93 64.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.766 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.63 -52.29 61.45 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.474 -179.69 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD11 HG11 ' A' ' 92' ' ' VAL . 5.8 mt -58.05 -25.54 61.34 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 178.084 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.503 ' HB ' ' O ' ' A' ' 28' ' ' SER . 43.6 m -73.81 -39.58 63.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.801 179.698 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.87 -29.66 65.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.792 179.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.423 ' HB2' HG21 ' A' ' 165' ' ' VAL . 11.8 mm100 -76.72 -33.48 58.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.096 0.474 . . . . 0.0 110.565 179.826 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -73.45 -48.14 35.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.382 179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 71.4 mtp -82.13 -49.91 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -96.96 -28.67 14.08 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.326 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 26.5 t70 58.31 60.18 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.045 0.45 . . . . 0.0 110.173 -179.191 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -166.8 127.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.704 -179.631 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -85.52 108.13 17.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.008 -179.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.613 HG12 ' H ' ' A' ' 42' ' ' ASP . 21.5 t -135.43 147.03 29.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.803 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.34 -0.62 15.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.613 ' H ' HG12 ' A' ' 40' ' ' VAL . 16.9 t70 -71.99 97.93 1.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.715 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -90.86 150.11 21.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.978 -179.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 44.1 mt-10 -131.16 102.13 15.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 179.898 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 30.5 Cg_endo -64.46 128.58 21.64 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.329 2.019 . . . . 0.0 112.09 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -95.78 136.23 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.189 -179.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -117.98 -49.41 2.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.695 179.765 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -161.13 -8.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -81.21 129.4 34.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB3' HD23 ' A' ' 67' ' ' LEU . 81.3 p -107.68 173.17 6.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -112.49 161.12 17.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.404 179.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -150.76 132.48 14.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 111.207 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -144.93 149.68 35.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.464 179.832 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 62.3 mttp -109.13 119.63 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.962 0.411 . . . . 0.0 111.21 -179.723 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -135.07 149.76 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.932 179.81 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 14.7 p -81.31 145.15 9.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.9 tp -138.5 103.29 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 56.02 31.24 17.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.98 -35.16 5.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.399 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -92.33 114.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.774 0.321 . . . . 0.0 110.702 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.7 tt0 -85.77 122.16 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.2 m -126.28 152.82 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 179.667 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.559 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 48.6 mt-30 -81.18 144.92 31.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.974 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.5 tt -121.65 123.37 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.61 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.566 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 21.8 t70 -110.02 114.39 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.557 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.6 mt -105.54 134.54 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.592 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 50' ' ' SER . 2.3 tm? -132.17 112.74 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.079 179.878 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.68 146.28 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.294 -179.501 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.1 p -128.08 103.79 7.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.015 179.772 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -70.11 176.42 3.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.055 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.55 107.98 1.88 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.538 ' HB2' HH21 ' A' ' 79' ' ' ARG . 95.1 mt -86.48 28.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.688 0.28 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 64.85 -81.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.389 179.789 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -160.35 -0.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.001 -179.822 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -61.81 104.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.96 -16.88 59.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.361 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.32 41.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.656 -179.6 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.438 HG22 ' HE2' ' A' ' 82' ' ' TYR . 63.1 mt -76.82 -51.25 19.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.253 -179.708 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.538 HH21 ' HB2' ' A' ' 72' ' ' LEU . 8.9 ptp180 -61.63 -37.82 85.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -57.05 -31.77 65.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.459 179.673 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -70.62 -34.85 72.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.642 179.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HE2' HG22 ' A' ' 78' ' ' ILE . 60.8 m-85 -66.13 -43.14 87.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB2' HG11 ' A' ' 114' ' ' VAL . 29.6 m-85 -63.95 -18.01 63.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.09 -33.53 26.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.6 p -87.5 11.28 15.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.046 -179.878 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.5 148.56 17.98 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.647 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 180' ' ' LYS . 13.3 mm-40 -107.39 -1.6 21.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -138.52 159.16 25.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.354 -179.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -137.8 134.82 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.672 0.272 . . . . 0.0 110.971 -179.723 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -127.0 105.58 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.646 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.575 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.3 tp -82.76 123.36 29.24 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 -179.796 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.489 HG11 HD11 ' A' ' 30' ' ' LEU . 40.6 t -128.82 135.07 63.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.658 -179.793 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.676 ' HB3' HG21 ' A' ' 104' ' ' THR . 11.1 p90 -145.04 147.16 32.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.202 178.507 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.42 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 37.4 t -88.73 147.42 24.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.857 0.361 . . . . 0.0 111.169 -179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.585 HG12 ' HB3' ' A' ' 129' ' ' LYS . 27.4 pt -77.78 -34.17 19.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.405 HG21 HD12 ' A' ' 132' ' ' LEU . 28.6 p -71.97 -5.65 36.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.646 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -128.34 97.14 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.567 179.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -62.87 -17.04 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -73.41 -26.91 61.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 110.186 -179.884 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.416 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 37.9 m -67.21 -54.19 23.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.694 -179.388 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.05 -37.25 71.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.617 -179.514 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 75.9 p -72.17 -54.0 10.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.961 -179.229 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.32 91.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.242 -179.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.676 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -54.24 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.231 0.538 . . . . 0.0 110.591 179.379 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.83 -30.27 65.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.216 -179.903 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -69.43 -47.07 65.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.701 179.813 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.8 -25.66 65.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.005 179.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -54.24 -44.3 71.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 179.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -70.49 -33.36 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.875 179.744 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.589 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 64.7 mt-30 -64.68 -29.8 70.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.672 179.904 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 79.5 mt -61.63 -45.05 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.104 -179.9 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.92 -26.83 66.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.913 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.589 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 27.5 mmt180 -53.05 -50.77 63.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.877 0.37 . . . . 0.0 111.668 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.558 HG23 ' HG2' ' A' ' 115' ' ' LYS . 14.8 m -69.77 -39.42 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.734 -179.522 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.4 mmtt -96.08 35.67 1.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.008 -179.821 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.76 -11.94 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.305 -179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.98 -36.56 12.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -82.25 173.9 11.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.021 179.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -124.99 -50.65 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.558 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -80.02 97.2 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.46 179.8 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 28.3 mm -104.37 120.89 49.21 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.37 -179.534 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.45 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.9 Cg_endo -74.6 124.28 8.71 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.339 2.026 . . . . 0.0 112.022 179.692 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 58.9 tp -147.24 156.87 43.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.639 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 24.8 tp -157.72 125.88 5.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.288 179.357 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.583 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.9 p -99.0 143.42 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.746 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.463 HG12 HG22 ' A' ' 92' ' ' VAL . 9.8 p -147.32 146.63 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 0.0 111.487 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.446 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -118.17 105.89 1.28 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.809 179.573 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.45 ' HA ' ' O ' ' A' ' 157' ' ' THR . 22.7 p-10 -80.33 -163.94 0.63 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.43 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.585 ' HB3' HG12 ' A' ' 95' ' ' ILE . 32.3 tptt 63.37 12.97 6.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.989 -179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 58.0 m -55.77 -14.75 2.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.355 -179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -64.62 -3.55 3.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.884 0.373 . . . . 0.0 110.333 179.499 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.523 HD13 ' HD2' ' A' ' 135' ' ' ARG . 74.7 mt -126.53 79.09 1.83 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.718 179.719 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -71.24 -23.21 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 -179.811 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.89 -9.4 55.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.027 -179.91 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.523 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -116.54 11.05 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.179 -179.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.449 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.6 ttm180 -74.83 108.42 7.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.502 179.556 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -85.23 -34.41 22.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -179.475 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 86.1 t -87.07 111.86 43.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.33 156.62 34.59 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.173 1.916 . . . . 0.0 111.891 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 94.0 t -68.09 -66.78 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.468 -179.783 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -53.67 -27.79 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.721 -179.135 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -73.04 -44.38 60.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 179.857 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.46 67.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 77.4 mtt180 -77.69 -40.82 40.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -179.759 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.1 t -67.32 -50.48 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.697 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -48.89 79.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.809 0.337 . . . . 0.0 111.065 -179.436 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.509 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -64.4 -28.63 69.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.402 -179.603 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.94 -32.39 69.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.019 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.03 -36.85 65.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -72.91 -22.53 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 103.69 31.45 4.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.466 -179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.38 173.96 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.995 0.426 . . . . 0.0 111.295 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -120.57 132.79 55.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.762 179.099 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.583 ' HD1' HG22 ' A' ' 125' ' ' VAL . 44.4 t80 -95.63 138.86 32.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.176 0.512 . . . . 0.0 111.671 -179.104 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.12 154.19 35.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.041 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -89.86 141.58 28.51 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.781 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 67.8 p -150.33 173.54 13.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.5 t -147.82 111.62 5.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.69 179.719 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.71 -6.63 8.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -92.13 -47.89 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.837 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 49.7 p -83.67 -9.46 58.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.421 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.9 ppt_? 37.44 35.12 0.05 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.862 -179.733 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.55 -55.73 5.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.737 -179.53 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.427 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.07 18.67 18.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.549 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.6 p -64.34 -40.69 89.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.579 -179.734 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.1 -14.54 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.558 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 44.8 tttp -62.64 -37.55 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -178.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 165' ' ' VAL . 28.0 m -71.9 -27.1 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 111.418 -178.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -75.09 -46.75 32.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.978 179.807 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -71.82 -47.52 52.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.365 179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -54.43 -54.04 46.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 53.3 tp -62.28 -35.63 79.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.754 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 42.7 ttm -57.6 -44.06 85.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.571 179.829 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -69.56 -34.65 74.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.027 179.833 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 15.6 mm-40 -60.63 -35.76 76.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.912 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.508 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 72.2 mt -66.24 -37.96 80.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 36.5 mtm180 -76.36 -43.47 40.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.969 -179.674 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 58.6 m -87.68 -58.75 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -178.077 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 80.1 tttt -69.67 -54.42 13.97 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -177.145 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 87.9 tttt -61.97 -35.46 78.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.168 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.8 mmt -81.97 -39.62 23.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -178.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 49.0 m -94.19 -62.99 1.24 Allowed 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -178.495 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 179' ' ' LYS . 8.5 pt-20 179.33 173.51 0.82 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.242 -179.364 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -54.86 -30.82 58.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.319 -0.848 . . . . 0.0 110.802 -179.972 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.426 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.451 ' H ' HG12 ' A' ' 62' ' ' VAL . . . -86.07 141.13 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 179.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.2 tm? -108.63 103.41 12.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -104.45 146.1 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.583 179.726 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -122.16 128.9 51.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.261 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -117.68 137.2 52.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.775 179.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.521 HD11 ' HA3' ' A' ' 86' ' ' GLY . 22.4 mm -106.33 132.93 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.295 -179.838 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.418 ' HE3' ' HB2' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -86.04 90.33 8.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.332 179.728 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.9 p -100.99 154.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.353 -179.706 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 104' ' ' THR . . . -177.64 -161.9 26.79 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.364 179.837 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.548 ' HB3' HG23 ' A' ' 25' ' ' VAL . 13.0 t -59.15 -61.99 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.672 179.793 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 166.29 -36.78 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.032 -179.874 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.5 46.57 0.92 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.143 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' HB3' ' A' ' 22' ' ' SER . 70.1 t -90.94 -66.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.735 0.302 . . . . 0.0 111.268 -179.736 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 166.81 37.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.813 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -48.47 -48.03 38.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.994 0.426 . . . . 0.0 111.079 179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 31' ' ' THR . 60.5 p -66.0 -29.81 70.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.39 179.874 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -63.14 -53.4 54.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.367 -178.7 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.9 mm? -61.21 -24.84 66.64 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.372 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 28' ' ' SER . 58.8 m -71.9 -44.39 63.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.819 -179.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.38 -42.73 71.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.569 -179.25 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 10.2 mm100 -55.96 -39.47 71.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 -179.683 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -72.75 -25.47 61.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.721 0.296 . . . . 0.0 111.483 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.2 tpp -81.94 -49.6 10.1 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -119.3 -3.1 10.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -178.141 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 19.6 m-20 58.83 29.51 18.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.746 0.308 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -140.39 140.7 35.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -91.39 107.3 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.827 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 42' ' ' ASP . 27.6 t -114.33 142.1 28.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.049 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -68.38 -35.06 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG12 ' A' ' 40' ' ' VAL . 28.5 m-20 -61.16 151.41 31.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.112 -179.789 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.3 p90 -156.7 176.28 12.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.85 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 40.8 tt0 -153.3 132.23 6.83 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.779 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 20.1 Cg_exo -65.58 153.67 77.17 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 122.32 2.013 . . . . 0.0 112.02 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -124.48 136.74 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.011 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -128.46 -27.5 2.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.996 -179.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.418 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.4 -9.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.265 -179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.418 ' H ' ' H ' ' A' ' 48' ' ' ALA . 4.7 p-10 -79.45 137.83 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.788 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.4 p -128.97 170.3 13.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -109.1 150.89 27.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.0 mtm180 -140.1 134.5 31.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.965 0.412 . . . . 0.0 111.046 179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.42 162.31 41.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.493 -179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -109.52 129.4 55.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.989 0.423 . . . . 0.0 111.628 -179.434 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -139.56 144.82 27.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.635 179.636 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 p -91.7 143.48 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 ' SD ' ' A' ' 173' ' ' MET . 53.1 tp -146.32 113.85 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 -179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 57.37 31.04 19.53 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.113 -179.803 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.26 36.27 18.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.729 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -152.14 114.78 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.816 0.341 . . . . 0.0 110.841 179.837 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -84.42 124.8 31.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 13' ' ' ALA . 27.8 m -134.73 149.64 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.74 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -90.22 125.29 35.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 tt -106.55 135.72 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.725 179.732 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -117.11 115.34 25.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.034 -179.681 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.455 HG21 HG23 ' A' ' 31' ' ' THR . 68.3 mt -99.67 136.72 29.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.815 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -124.99 100.36 6.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 179.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -82.65 124.95 30.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 57.6 p -95.69 169.21 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.29 -163.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.779 179.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.43 90.95 0.06 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.353 179.785 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.586 ' HB3' ' HG2' ' A' ' 79' ' ' ARG . 38.4 mt -76.56 3.48 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.258 -179.76 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' HA ' HH21 ' A' ' 79' ' ' ARG . 41.9 tt0 -59.69 -25.91 65.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.07 -29.09 70.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -97.38 153.19 18.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.87 -53.86 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.404 -179.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.43 9.92 0.74 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.236 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.9 mm -57.26 -16.4 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.586 ' HG2' ' HB3' ' A' ' 72' ' ' LEU . 93.2 mtt180 -49.96 -27.94 6.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.79 -179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.26 -32.31 64.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.521 -179.489 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -58.89 -45.95 89.02 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.536 -179.58 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -63.34 -52.42 61.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.863 -179.268 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -62.55 -32.58 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 111.404 -179.466 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -79.61 -1.41 37.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.4 -179.655 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.6 t -102.86 9.06 39.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.036 179.85 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.521 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -143.6 173.82 24.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.599 -179.906 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -115.42 -29.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.358 . . . . 0.0 110.702 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.478 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -105.31 155.77 16.9 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -134.54 133.25 40.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.707 0.289 . . . . 0.0 110.594 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.809 HD21 HG21 ' A' ' 168' ' ' VAL . 2.2 tt -126.2 101.98 6.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.023 -179.505 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 5.6 tp -83.45 126.36 32.68 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.0 t -130.12 143.77 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.605 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.529 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.9 p90 -153.07 156.96 39.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.397 178.549 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.405 ' OG ' HG13 ' A' ' 25' ' ' VAL . 69.4 m -96.76 149.62 21.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.057 0.456 . . . . 0.0 111.302 -179.624 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.613 HG12 ' HB3' ' A' ' 129' ' ' LYS . 15.6 pt -78.53 -36.01 19.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.208 179.765 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.3 p -71.85 -4.4 27.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.63 97.51 4.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.83 -18.05 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.731 179.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.58 -26.53 60.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.607 -179.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 30.0 m -67.39 -54.25 22.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.467 -179.322 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.82 -34.82 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 111.395 -179.653 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.1 p -71.82 -53.32 13.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.713 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.57 -32.2 73.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.5 p -66.46 -30.51 70.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.045 0.45 . . . . 0.0 110.664 179.295 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 108' ' ' ARG . . . -55.26 -54.55 42.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.172 -179.156 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.65 -43.6 89.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.647 0.26 . . . . 0.0 111.106 -179.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -55.3 -32.5 62.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.017 179.646 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 105' ' ' ALA . 3.2 tmt_? -57.87 -45.89 85.65 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.338 179.664 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.44 -33.41 71.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.902 179.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.471 ' O ' HG22 ' A' ' 114' ' ' VAL . 88.8 mt-30 -62.01 -28.2 69.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 114' ' ' VAL . 96.3 mt -64.12 -44.95 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.977 0.418 . . . . 0.0 111.259 -179.769 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.0 mt -67.07 -25.3 66.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.542 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.555 ' HG3' ' N ' ' A' ' 114' ' ' VAL . 0.0 OUTLIER -65.05 -43.23 92.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.36 0.6 . . . . 0.0 110.608 -179.179 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.555 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 0.1 OUTLIER -84.36 -13.55 11.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.963 -179.233 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -127.04 35.1 4.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.22 -10.89 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.903 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -85.99 -26.62 25.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -99.31 131.0 45.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -77.3 -60.69 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.923 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.592 ' HD3' ' HA ' ' A' ' 183' ' ' GLU . 4.1 mptp? -75.92 98.59 4.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.762 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 38.3 mm -102.02 104.59 37.09 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.738 179.823 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.478 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.8 Cg_endo -62.64 116.59 3.62 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.318 2.012 . . . . 0.0 112.234 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -139.09 152.0 47.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.527 179.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.485 HD23 HG23 ' A' ' 168' ' ' VAL . 12.5 tp -153.73 119.99 5.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.522 179.876 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.675 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.6 p -97.24 140.8 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.502 -179.191 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.528 HG21 ' HB ' ' A' ' 168' ' ' VAL . 37.4 t -146.5 146.54 18.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.042 179.857 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.19 115.48 3.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.116 179.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -87.98 -166.02 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.613 ' HB3' HG12 ' A' ' 95' ' ' ILE . 1.1 tppp? 68.09 11.39 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 -179.89 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 47.5 t -58.73 -13.36 5.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.168 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.33 -13.11 6.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.017 0.437 . . . . 0.0 110.516 179.557 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 135' ' ' ARG . 22.9 mt -120.66 86.62 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.616 179.83 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.461 ' HG2' HH22 ' A' ' 136' ' ' ARG . 36.1 mt-10 -72.78 -29.04 62.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.206 -179.63 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -81.32 -23.23 37.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.365 -179.57 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.5 mtt180 -101.27 12.11 38.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.269 -179.721 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.511 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.8 ttm105 -76.41 108.04 9.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.806 0.336 . . . . 0.0 110.322 179.507 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -83.7 -31.86 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.612 -179.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 69.0 t -97.89 108.33 45.57 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.497 -179.769 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.78 133.81 53.37 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.226 1.951 . . . . 0.0 111.409 179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.7 p -52.0 -46.28 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.423 -179.685 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.57 -48.71 74.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.129 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.51 -31.47 72.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.12 -31.85 64.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.3 mtt180 -77.0 -39.23 51.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.185 -179.779 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.5 t -63.83 -41.1 97.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -46.76 20.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 111.386 -179.242 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.675 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -64.29 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.92 -179.464 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -61.49 -32.35 72.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.788 0.328 . . . . 0.0 110.538 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -52.41 -38.69 59.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.834 179.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -67.43 -26.77 66.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.19 28.02 4.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.66 175.24 11.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 111.663 -179.809 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -115.49 128.37 55.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.707 179.031 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.524 ' HD1' HG22 ' A' ' 125' ' ' VAL . 38.0 t80 -95.68 142.85 27.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.211 0.529 . . . . 0.0 111.798 -179.188 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -140.15 150.73 21.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -89.78 144.21 26.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 -179.765 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 50.6 p -150.38 173.26 14.21 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.535 -179.6 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 59.4 p -136.71 110.79 8.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.616 179.643 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -73.31 6.58 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.521 -179.715 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -99.75 -47.33 5.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.81 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 17.9 p -92.46 -0.7 57.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.448 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.8 ppt_? 35.25 39.0 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.763 -179.822 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.05 -55.2 5.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.649 -179.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' ' 167' ' ' LYS . 2.7 p30 -111.11 23.54 13.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.933 -179.452 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 168' ' ' VAL . 3.9 p -68.68 -37.83 78.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.99 179.679 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -73.16 -14.97 61.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 111.231 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 164' ' ' ASN . 46.5 tptt -57.96 -34.14 69.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.747 -179.393 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.809 HG21 HD21 ' A' ' 90' ' ' LEU . 14.4 p -81.61 -29.23 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.102 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -73.78 -46.76 43.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.972 -179.706 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -68.89 -43.48 75.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.216 -179.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -60.8 -52.69 64.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.6 tp -61.49 -32.63 72.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.77 179.824 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.449 ' SD ' HD22 ' A' ' 57' ' ' LEU . 49.3 ttm -59.05 -42.77 91.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.73 179.909 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.47 -39.94 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.19 -47.15 87.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.669 179.813 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.502 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 77.0 mt -58.38 -32.57 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.434 HH11 HD23 ' A' ' 57' ' ' LEU . 82.9 mtp180 -73.7 -53.33 10.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.606 -179.614 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 98.5 m -88.05 -58.81 2.43 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -178.631 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.514 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 81.2 tttt -61.84 -54.55 40.63 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -177.651 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 13.6 tmtt? -60.45 -44.72 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -178.818 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 26.2 mmt -75.64 -12.91 60.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.647 0.261 . . . . 0.0 111.564 -179.317 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 45.8 t -68.73 -60.95 2.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 179.82 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.592 ' HA ' ' HD3' ' A' ' 120' ' ' LYS . 42.9 mt-10 57.3 20.84 6.15 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.443 179.768 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -151.2 -52.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.739 0.304 . . . . 0.0 111.156 -179.907 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 57.3 tptt . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.869 -179.894 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.442 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.13 162.09 27.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.755 -179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 tp -128.46 114.99 17.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.895 0.378 . . . . 0.0 111.231 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -116.0 142.74 46.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.367 179.57 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.528 ' HA ' ' HB3' ' A' ' 65' ' ' ASP . 62.9 mttp -119.66 103.18 9.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.841 0.353 . . . . 0.0 111.493 -179.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -95.47 124.0 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.669 179.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.1 mm -108.11 126.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.578 -179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 96.2 mmm -78.05 90.7 4.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.398 179.397 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.517 HG13 ' HA ' ' A' ' 91' ' ' LEU . 11.9 p -95.44 156.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.046 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -171.22 -160.22 19.25 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 -179.819 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 104' ' ' THR . 77.4 p -62.04 -48.57 79.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.999 0.428 . . . . 0.0 110.543 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.79 31.29 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.409 -179.885 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.67 37.39 0.02 OUTLIER Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.726 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 93' ' ' PHE . 7.0 t -94.67 -57.97 4.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.639 0.257 . . . . 0.0 111.165 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.98 41.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -49.93 -35.72 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.248 0.547 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' A' ' 31' ' ' THR . 51.2 p -82.3 -28.44 31.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.329 -179.754 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.17 -52.88 63.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.507 -178.431 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -64.88 -24.82 67.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.369 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 ' HB ' ' O ' ' A' ' 28' ' ' SER . 95.6 m -69.27 -44.17 72.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.552 -179.594 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.96 -33.14 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.361 -179.671 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.511 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.5 mm100 -73.09 -29.53 63.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.4 -179.706 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -72.88 -48.08 40.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -179.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 55.9 ttm -82.21 -49.7 9.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -178.507 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.19 -22.23 27.08 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.511 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.4 m-20 56.95 27.52 13.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.937 0.398 . . . . 0.0 110.493 -179.605 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -139.3 150.4 45.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.26 -179.525 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 78.7 t80 -99.87 105.59 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.34 179.462 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -134.12 143.21 38.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.164 -179.551 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.34 104.0 9.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.779 179.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -148.37 146.72 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.974 -179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -132.1 102.41 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.634 179.685 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -109.84 108.73 59.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.38 147.3 57.53 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.369 2.046 . . . . 0.0 112.326 179.822 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 m -74.34 97.18 2.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.161 -179.693 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -90.74 31.07 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.754 179.833 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 64.18 13.65 8.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.267 -179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -95.1 128.59 42.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.581 179.785 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.6 m -108.89 156.54 19.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 -179.724 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -97.1 153.42 17.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.669 179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -150.14 134.03 16.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -153.96 137.85 16.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.768 -179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -79.11 121.25 24.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 -179.85 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.2 m -128.84 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.058 179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.62 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.0 p -83.92 143.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.955 0.407 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD21 ' HG2' ' A' ' 174' ' ' ARG . 64.3 tp -144.3 107.81 4.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.834 -179.887 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 56.48 31.06 18.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.53 -29.68 11.48 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.532 ' HB3' HH12 ' A' ' 177' ' ' ARG . 10.0 tp10 -93.7 113.65 25.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.62 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.6 tt0 -83.57 116.94 22.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.958 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.1 m -121.4 147.73 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -83.45 140.39 32.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.9 tt -113.61 137.21 47.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.018 179.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.528 ' HB3' ' HA ' ' A' ' 16' ' ' LYS . 17.0 t70 -117.54 114.22 23.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.602 179.785 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.1 mt -113.23 133.97 57.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.317 -179.584 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 67' ' ' LEU . 3.2 tm? -144.76 114.38 7.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.635 179.911 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.2 157.98 17.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 67.8 p -139.06 155.99 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.02 -174.75 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.64 118.85 4.71 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.394 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 79' ' ' ARG . 5.9 mp -88.06 -68.38 0.76 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.592 0.234 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 66.31 -77.89 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.196 -179.854 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -58.2 -23.53 55.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.136 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -105.0 81.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.23 -16.59 58.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.516 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -51.24 5.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.812 -179.552 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.513 ' HA ' HD22 ' A' ' 81' ' ' ASN . 57.2 mt -54.71 -34.33 29.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.735 -179.444 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.453 ' HB3' HD22 ' A' ' 72' ' ' LEU . 9.4 ptp180 -58.04 -37.09 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -67.6 -32.48 73.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.513 HD22 ' HA ' ' A' ' 78' ' ' ILE . 26.5 m-80 -57.62 -34.57 69.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.463 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -69.32 -48.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -58.43 -20.59 46.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.546 -179.311 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -79.93 -32.98 40.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.6 t -82.55 -3.22 55.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.26 153.79 16.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.582 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -98.47 -54.23 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.878 0.37 . . . . 0.0 110.776 179.844 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.679 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.15 160.93 25.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.498 179.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -136.28 140.72 43.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.36 . . . . 0.0 110.904 -179.755 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.473 HD11 HG23 ' A' ' 168' ' ' VAL . 1.3 tt -130.77 104.03 6.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.663 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' ' 104' ' ' THR . 6.0 tp -82.46 129.23 34.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.795 -179.748 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.1 t -136.36 133.48 49.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.727 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.593 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.4 p90 -138.22 160.3 39.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.478 178.786 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.487 ' OG ' HG13 ' A' ' 25' ' ' VAL . 68.3 m -98.73 129.2 45.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 111.175 -179.621 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.469 HD13 ' HE ' ' A' ' 136' ' ' ARG . 18.9 pt -62.73 -33.17 58.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.542 179.383 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.525 HG21 HD12 ' A' ' 132' ' ' LEU . 72.9 p -70.28 -21.04 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.295 179.351 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -114.37 92.2 3.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.549 179.613 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -62.19 -15.84 49.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.011 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -73.01 -26.7 61.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.472 . . . . 0.0 110.43 -179.299 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' A' ' 22' ' ' SER . 20.1 m -73.34 -46.96 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.0 -179.377 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -50.92 -43.59 59.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.377 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.8 p -72.4 -54.05 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.123 -179.13 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.43 -39.68 73.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.615 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.64 ' HB ' HD21 ' A' ' 91' ' ' LEU . 18.3 p -61.18 -31.43 71.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.56 179.429 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.09 -35.62 81.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.292 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 110' ' ' GLN . 0.7 OUTLIER -66.46 -41.15 89.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.971 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.56 -25.64 66.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -51.87 -49.32 63.17 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.621 179.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.08 -36.99 72.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 179.728 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 9.2 mm-40 -60.06 -33.3 71.87 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.678 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.99 -37.32 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.212 -179.808 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 90.4 mt -67.53 -25.57 65.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.699 -179.841 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 63.5 mtp180 -50.42 -50.54 51.69 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.741 -179.413 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.532 HG23 ' HG2' ' A' ' 115' ' ' LYS . 8.3 m -71.65 -41.03 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.766 -179.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.6 mmtt -94.3 39.91 1.09 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.828 -179.82 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.38 -21.85 66.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.458 -179.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -97.52 -13.9 21.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.959 -179.79 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 115' ' ' LYS . 9.4 tp10 -96.8 149.5 21.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -99.93 -52.52 3.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.016 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.525 ' HZ1' ' HB3' ' A' ' 185' ' ' LYS . 45.4 mmtm -74.39 108.78 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 26.8 mm -116.29 103.44 53.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.679 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 48.8 Cg_endo -69.99 119.92 6.77 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.335 2.023 . . . . 0.0 112.176 179.829 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -138.75 162.42 34.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.78 -179.791 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 39.2 tp -167.14 118.73 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.32 179.789 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.576 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.8 p -93.27 141.31 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.985 0.421 . . . . 0.0 111.396 -179.437 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.451 HG11 HG11 ' A' ' 168' ' ' VAL . 42.1 t -143.43 143.19 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.929 -179.572 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.27 121.53 5.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.327 179.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -91.72 -166.11 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.795 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.437 ' O ' HD11 ' A' ' 95' ' ' ILE . 71.4 mmtt 61.69 14.64 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.369 -179.853 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 68.3 m -59.8 -15.14 18.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 111.066 -179.842 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.91 -8.92 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.454 179.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.525 HD12 HG21 ' A' ' 96' ' ' THR . 42.2 mt -119.92 83.8 2.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.051 -179.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.453 ' HG2' HH22 ' A' ' 136' ' ' ARG . 45.7 mt-10 -72.86 -36.05 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.082 179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.58 -9.71 58.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.474 -179.635 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.518 ' HD3' HD13 ' A' ' 132' ' ' LEU . 73.5 mtp180 -114.16 -2.81 13.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.299 -179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.469 ' HE ' HD13 ' A' ' 95' ' ' ILE . 44.7 ttm180 -65.25 108.67 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -82.36 -33.46 28.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.421 -179.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 97.3 t -101.43 112.07 64.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.277 -179.847 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -60.86 132.92 44.82 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.076 1.851 . . . . 0.0 111.549 179.249 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.51 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.2 p -53.34 -43.32 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.102 -179.841 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.0 -47.73 80.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.99 -38.59 91.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -66.42 -28.83 68.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.287 -179.77 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.5 mtt180 -63.44 -51.76 64.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.362 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -55.57 -42.61 74.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.149 -179.624 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -63.29 -48.56 77.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.635 179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.41 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -57.09 -47.94 79.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.545 -179.323 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -51.86 -31.79 29.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.69 -48.79 63.35 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.767 0.318 . . . . 0.0 111.02 179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -72.23 -16.57 61.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.589 179.42 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 100.95 19.08 18.2 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 -179.628 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.41 HG23 ' HB1' ' A' ' 147' ' ' ALA . 27.5 m -119.02 175.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.065 0.46 . . . . 0.0 111.374 -179.677 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -119.72 130.81 55.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.735 179.105 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.576 ' HD1' HG22 ' A' ' 125' ' ' VAL . 37.1 t80 -94.8 135.77 35.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.062 0.458 . . . . 0.0 111.188 -179.567 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.2 153.8 39.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -89.78 142.69 27.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.475 179.556 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 164' ' ' ASN . 46.6 p -147.67 164.48 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.078 0.466 . . . . 0.0 111.518 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.5 m -140.3 111.43 7.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.313 179.534 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.73 -1.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.487 -179.686 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -99.3 -36.24 9.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.929 179.688 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 62.8 p -98.47 -5.72 31.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.464 -179.792 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.51 ' HB3' HE21 ' A' ' 33' ' ' GLN . 0.0 OUTLIER 35.21 39.4 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.424 0.452 . . . . 0.0 111.904 -179.986 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.46 -55.19 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.202 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.445 ' HB2' HG22 ' A' ' 157' ' ' THR . 4.6 m-20 -111.5 7.0 20.54 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.046 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.559 ' O ' HG22 ' A' ' 168' ' ' VAL . 11.2 p -61.47 -41.81 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.828 179.916 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.76 -21.6 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.081 179.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -70.14 -31.51 69.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.871 -179.234 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.1 m -74.3 -29.07 23.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.694 0.283 . . . . 0.0 111.528 -179.1 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -74.58 -45.61 44.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -71.44 -34.96 70.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.154 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -59.84 -53.36 58.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.79 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 176' ' ' ILE . 54.4 tp -64.12 -33.94 76.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.757 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 45.6 ttm -56.75 -44.95 82.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.454 ' HG2' HD21 ' A' ' 57' ' ' LEU . 81.1 mtp180 -64.46 -34.28 77.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.787 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -71.52 -30.89 66.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.574 -179.586 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 172' ' ' LEU . 95.3 mt -69.68 -45.08 78.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.33 . . . . 0.0 111.28 -179.808 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.532 HH12 ' HB3' ' A' ' 60' ' ' GLU . 13.0 ptm180 -74.46 -29.33 61.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.715 -179.539 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 59.0 m -87.98 -59.59 2.2 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 182' ' ' SER . 82.5 tttt -70.51 -54.15 13.38 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.788 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.57 -54.6 43.49 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.4 mmt -58.86 -12.9 4.96 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -178.742 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 40.2 m -70.41 -60.66 2.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.667 0.27 . . . . 0.0 111.009 179.696 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 56.9 21.68 6.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.022 -179.825 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -61.98 -71.02 0.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.75 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.525 ' HB3' ' HZ1' ' A' ' 120' ' ' LYS . 23.3 tptm . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.405 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.9 mp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.784 0.326 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.16 161.27 33.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.9 tp -129.04 106.62 9.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.67 179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -104.16 152.42 22.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.959 -179.825 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -116.78 145.71 43.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -127.67 124.32 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.247 -179.48 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mm -102.47 106.18 19.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.941 0.4 . . . . 0.0 110.833 179.534 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.612 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 1.2 tpt -67.75 98.34 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.637 -179.695 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG13 ' HA ' ' A' ' 91' ' ' LEU . 10.0 p -117.17 153.75 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.861 179.927 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 164.92 85.83 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.964 -179.788 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.495 ' N ' HG22 ' A' ' 104' ' ' THR . 28.6 t 61.6 -83.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.76 0.314 . . . . 0.0 111.339 179.449 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.04 -63.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.283 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.21 70.01 0.21 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.101 179.693 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.6 t -114.8 -56.32 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.687 0.28 . . . . 0.0 111.316 -179.574 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 143.16 37.04 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.236 -179.84 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.612 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 30.2 mtmm -54.32 -39.76 67.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.771 0.319 . . . . 0.0 111.263 -179.542 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 31' ' ' THR . 83.8 p -62.74 -29.91 71.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.994 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -64.62 -52.45 57.41 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.827 -179.074 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.614 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.6 mm? -58.52 -24.93 61.77 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.258 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 28' ' ' SER . 34.1 m -73.84 -45.28 52.18 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.735 -179.49 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -71.0 -30.23 66.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.695 -179.401 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 15.6 mm100 -71.41 -36.11 71.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 111.758 -179.355 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -72.45 -31.23 65.27 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.187 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.8 ttm -82.25 -49.43 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -178.292 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -100.45 -10.65 20.9 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.136 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.2 m-20 55.34 32.07 18.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.571 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.35 155.48 42.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.573 -179.487 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 52.0 t80 -95.83 109.45 21.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.897 -179.901 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.1 t -133.31 139.68 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -86.57 120.0 27.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -164.83 165.37 20.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -140.04 125.93 19.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -139.15 103.85 7.31 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.8 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -63.65 146.69 92.65 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 122.348 2.032 . . . . 0.0 112.429 -179.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.4 m -77.91 119.58 21.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -129.35 62.6 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.693 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.8 15.26 3.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.327 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -105.74 129.66 53.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.8 m -119.21 164.23 15.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.857 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -94.57 156.05 16.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.47 179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 52.7 mtm180 -146.02 137.22 24.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.143 0.496 . . . . 0.0 111.549 179.757 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -166.67 167.92 14.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.524 179.435 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' HB2' ' HG3' ' A' ' 63' ' ' GLN . 1.7 ttpt -129.48 133.72 47.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.884 0.374 . . . . 0.0 110.987 -179.126 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.2 m -142.98 154.4 17.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 t -72.14 145.62 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.834 179.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 tp -144.78 100.56 3.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.9 t70 55.1 31.3 16.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.448 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.44 -35.1 4.81 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.171 -179.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 8.3 tp10 -83.81 114.0 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 0.0 110.401 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -78.17 114.88 17.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.142 -179.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.6 m -133.22 145.04 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.064 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.49 ' HG3' ' HB2' ' A' ' 54' ' ' LYS . 8.4 mt-30 -85.43 169.78 13.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.061 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.89 136.15 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -125.63 114.58 18.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.759 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -108.78 138.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 111.648 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.3 tp -135.26 129.47 33.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.671 179.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -87.71 165.63 15.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.6 p -130.6 -17.06 3.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.24 -173.06 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.256 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.05 87.01 1.11 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.786 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.569 ' HB3' ' HB2' ' A' ' 75' ' ' TYR . 88.6 mt -59.53 -44.3 93.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.753 0.311 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 59.9 -84.17 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.395 179.803 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.45 -33.22 73.37 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.11 -179.689 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 66.6 m-85 -97.81 62.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.12 -20.81 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.565 -179.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.38 -21.0 53.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.419 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 75' ' ' TYR . 48.7 mt -83.57 -19.11 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.752 179.824 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -52.49 -45.92 66.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 179.818 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -55.03 -38.64 68.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -58.47 -38.71 78.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.498 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -70.43 -29.61 66.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.525 -179.532 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -81.51 -16.29 52.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.247 -179.684 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -80.03 -47.81 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.034 -179.762 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.0 m -75.41 -0.31 19.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.53 155.94 18.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.809 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -108.75 -41.48 4.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.789 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.534 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -112.36 153.85 17.19 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -129.82 136.33 49.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.8 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 tt -133.71 107.68 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.517 179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.767 HD21 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -83.02 137.15 34.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.033 -179.62 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG22 HG12 ' A' ' 126' ' ' VAL . 39.8 t -141.0 110.44 2.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.668 -179.821 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.618 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.2 p90 -118.72 152.22 36.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.706 0.289 . . . . 0.0 110.454 178.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 17.4 t -92.05 141.35 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 29.0 pt -77.35 -28.18 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.626 179.612 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.548 HG21 HD12 ' A' ' 132' ' ' LEU . 77.8 p -73.94 -18.47 60.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.751 179.692 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -120.63 102.51 8.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.901 179.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -62.87 -16.39 58.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.099 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -73.03 -26.92 61.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.807 -179.559 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.9 m -69.11 -53.88 17.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.259 -179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -56.52 -36.39 69.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.225 -179.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.8 p -73.01 -53.85 10.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.012 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.28 -37.04 79.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.432 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.767 ' HB ' HD21 ' A' ' 91' ' ' LEU . 11.3 p -59.32 -33.19 70.82 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.041 179.699 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.91 86.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.251 -179.661 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 110' ' ' GLN . 13.9 mm-40 -61.94 -48.35 80.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.036 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -55.07 -29.01 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.729 -179.45 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.3 tmt_? -53.03 -49.28 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 0.0 110.792 179.856 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -71.29 -26.92 63.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.404 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 52.6 mt-30 -71.95 -32.37 67.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.966 0.412 . . . . 0.0 111.322 -179.444 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.23 -41.29 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.54 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.39 -25.79 66.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.018 -179.471 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.403 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 5.1 mmp_? -50.59 -50.55 53.63 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -179.188 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.64 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.5 m -69.68 -29.52 41.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.787 -179.36 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.64 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.0 mmtt -109.06 39.25 2.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.717 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.3 -18.43 61.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.749 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -95.42 -36.28 11.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 1.9 mp0 -72.81 163.16 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -114.13 -56.04 2.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 179.856 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 183' ' ' GLU . 13.5 mptt -72.06 111.5 7.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.713 179.702 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 36.7 mm -121.98 116.15 30.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 -179.659 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.534 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 73.6 Cg_endo -75.57 123.65 7.72 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.34 2.027 . . . . 0.0 112.273 179.641 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 124' ' ' LEU . 0.4 OUTLIER -146.43 151.09 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.4 -179.769 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 123' ' ' LEU . 21.4 tp -156.11 118.91 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.391 179.149 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.625 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.2 p -96.34 143.31 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.615 -179.091 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.516 HG12 HG22 ' A' ' 92' ' ' VAL . 3.1 p -144.73 159.65 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.995 179.708 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -128.58 111.24 1.22 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.051 179.66 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 94' ' ' SER . 28.3 p-10 -83.3 -165.64 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 110.506 -179.411 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' O ' HD11 ' A' ' 95' ' ' ILE . 29.8 mmtp 59.22 15.96 4.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 41.9 t -58.59 -19.54 39.32 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.087 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.72 -17.57 16.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.633 179.728 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.617 HD13 ' HD2' ' A' ' 135' ' ' ARG . 56.3 mt -108.14 86.01 2.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -72.6 -29.48 63.54 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.508 -179.859 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -82.61 -22.2 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.517 -179.521 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.617 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.5 mtt180 -99.19 5.8 46.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.736 0.303 . . . . 0.0 111.255 -179.862 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.461 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 40.7 ttm180 -78.6 109.27 12.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.858 0.361 . . . . 0.0 110.48 179.64 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -92.47 -21.53 20.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -179.489 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.425 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 78.7 t -96.09 102.51 10.93 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.424 -179.848 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 22.1 Cg_endo -61.33 128.6 25.44 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.137 1.891 . . . . 0.0 111.178 179.104 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -52.7 -43.88 45.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.75 -179.211 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 140' ' ' VAL . 8.1 pt-20 -54.77 -41.45 70.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.686 -179.494 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -75.33 -33.81 61.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.953 -179.899 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.22 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.347 -179.883 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 47.7 mtt180 -74.8 -43.01 56.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.918 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.4 t -57.53 -44.18 84.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.408 -179.734 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.55 ' HE3' ' CZ2' ' A' ' 150' ' ' TRP . 1.8 tmmm? -74.13 -47.96 32.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.551 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -54.49 -30.45 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.46 -31.79 72.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.055 179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -50.93 -48.12 60.85 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.816 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.55 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 32.1 m0 -64.54 -24.31 67.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.673 179.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 107.63 15.34 15.46 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.253 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.537 HG11 ' HB3' ' A' ' 123' ' ' LEU . 19.2 m -121.03 167.22 14.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.103 0.478 . . . . 0.0 112.111 -179.588 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -107.3 131.87 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.025 179.116 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.625 ' HD1' HG22 ' A' ' 125' ' ' VAL . 23.0 t80 -96.83 143.21 27.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.935 0.398 . . . . 0.0 111.145 -179.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.12 154.51 23.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.527 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -89.62 148.36 23.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.5 p -153.01 165.19 36.34 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.952 0.406 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.7 m -133.77 111.54 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.513 179.584 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -71.42 -1.87 14.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.015 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -93.35 -41.25 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.456 179.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 162' ' ' ARG . 72.9 p -96.92 -4.27 40.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.971 179.811 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.89 38.66 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.161 179.99 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.19 -55.58 5.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.818 -179.747 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -108.65 14.75 24.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.666 -179.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.545 HG23 HD12 ' A' ' 30' ' ' LEU . 7.7 p -64.56 -39.52 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.833 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.15 -14.34 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.609 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -60.89 -38.8 86.91 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.365 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 165' ' ' VAL . 35.0 m -73.89 -26.87 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -178.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -74.89 -48.49 24.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.364 -179.632 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -71.74 -49.67 37.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.884 -179.558 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -56.01 -45.69 79.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.26 -179.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 tp -69.32 -40.04 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.143 -179.85 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 18.4 ttp -57.4 -39.98 77.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.5 -34.81 78.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.729 179.763 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.6 mm-40 -66.91 -25.95 66.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.025 -179.834 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 76.6 mt -71.58 -54.19 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.8 ptm180 -65.45 -28.73 69.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.928 -179.383 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 99.5 m -88.41 -60.46 1.96 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -179.157 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.0 tttp -71.81 -54.8 9.01 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -178.086 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.466 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.0 tttm -61.15 -48.06 83.36 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -178.372 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.4 mmt -63.0 -17.48 62.23 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.391 -179.499 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 73.0 m -93.4 -12.85 28.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.822 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 120' ' ' LYS . 30.4 tt0 -56.5 125.46 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.949 179.734 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.903 -179.964 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.41 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.3 mp . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.714 0.292 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.74 138.9 48.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.923 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.6 tt -116.51 112.29 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.578 179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -104.64 150.88 24.3 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -125.8 125.02 42.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.991 -179.805 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.14 140.42 33.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.398 179.952 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.543 HD11 ' HA3' ' A' ' 86' ' ' GLY . 27.2 mm -103.95 109.18 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.954 179.708 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.622 ' HG3' ' HB3' ' A' ' 27' ' ' LYS . 3.4 tpt -65.52 92.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.325 179.762 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.495 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.5 p -102.14 161.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.335 -179.526 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 178.65 -156.63 19.41 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.268 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.495 ' HB3' HG23 ' A' ' 25' ' ' VAL . 32.1 t -66.77 -62.07 1.63 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.935 0.397 . . . . 0.0 110.807 -179.888 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 161.14 -34.87 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.326 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.37 43.97 1.17 Allowed Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.565 HG21 ' HA ' ' A' ' 93' ' ' PHE . 73.2 t -93.88 -62.63 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 111.047 179.899 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 152.52 39.61 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.251 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.622 ' HB3' ' HG3' ' A' ' 19' ' ' MET . 45.3 mtmt -52.72 -35.61 56.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 -179.783 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.508 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.7 p -71.92 -30.03 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.96 179.738 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -52.47 65.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.726 -179.415 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.1 mm? -61.72 -25.0 67.16 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 178.211 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.508 ' HB ' ' O ' ' A' ' 28' ' ' SER . 57.3 m -71.91 -41.5 67.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.09 -45.45 63.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.74 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.675 ' HB2' HG21 ' A' ' 165' ' ' VAL . 16.6 mm100 -56.58 -35.23 67.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -72.92 -25.69 61.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.799 0.333 . . . . 0.0 111.173 179.755 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.5 tpp -82.05 -49.61 10.03 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.466 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -114.98 -8.27 12.5 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.082 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.3 m-20 60.92 29.78 19.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.608 -179.605 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -147.31 142.12 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.023 -179.618 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -89.94 108.3 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.6 t -131.99 136.23 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -65.91 94.71 0.23 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.86 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -131.8 152.55 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.765 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -146.01 112.91 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.27 104.34 14.98 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.66 139.87 76.48 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.469 2.113 . . . . 0.0 112.41 -179.847 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.6 m -96.88 129.3 44.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -114.72 -56.39 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.699 179.895 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -166.98 -6.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.03 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' H ' ' A' ' 48' ' ' ALA . 6.3 p-10 -80.96 135.79 35.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.5 m -112.08 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 29.1 m-85 -112.84 150.27 31.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.457 179.749 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -137.93 135.32 35.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.852 179.807 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -146.31 150.04 34.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.051 -179.474 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.87 126.47 44.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.037 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.05 150.06 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.979 179.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 68.0 t -92.17 134.0 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.7 tp -130.21 101.34 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 56.25 31.2 18.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.48 -35.46 5.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.565 179.925 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -87.73 114.23 24.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -84.84 116.83 23.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.68 148.02 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.493 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.2 mt-30 -81.18 141.51 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.796 -179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 tt -114.12 139.81 38.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.994 -179.838 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 17.1 t70 -125.94 119.67 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.993 -179.815 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 31' ' ' THR . 70.9 mt -114.01 126.47 71.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -122.21 116.41 24.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.705 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -82.66 125.51 31.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.2 p -100.78 -25.25 14.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.313 -179.819 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 59.02 -169.95 0.13 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -93.66 103.2 3.0 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.8 mp -73.17 -72.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.696 0.284 . . . . 0.0 110.957 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HA ' HH21 ' A' ' 79' ' ' ARG . 46.6 mt-10 57.64 -179.81 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.979 -179.706 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 62.79 9.77 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -126.18 166.67 16.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.6 179.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.92 -54.26 6.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.594 -179.625 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -170.14 27.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.508 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.6 mt -59.88 -17.25 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.388 . . . . 0.0 111.024 -179.965 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.493 HH21 ' HA ' ' A' ' 73' ' ' GLU . 93.1 mtt180 -54.94 -33.87 62.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.248 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -53.49 -38.67 63.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.214 -179.707 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -57.23 -34.95 69.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.377 -179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.281 -179.795 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 114' ' ' VAL . 76.2 m-85 -74.54 -13.36 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -84.27 -6.75 59.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.327 -179.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -101.62 11.73 38.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.543 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -141.47 -179.19 18.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.699 -179.824 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -125.81 -40.73 2.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.14 162.86 21.0 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.701 -179.738 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -136.43 132.19 35.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.317 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.525 HD11 HG23 ' A' ' 168' ' ' VAL . 2.1 tt -123.94 105.9 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.78 -179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 104' ' ' THR . 6.5 tp -82.89 134.3 35.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG22 ' HB ' ' A' ' 126' ' ' VAL . 94.7 t -139.78 139.4 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.925 0.393 . . . . 0.0 111.899 -179.926 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.572 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.3 p90 -149.02 163.51 37.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.652 179.027 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.2 t -101.49 144.05 30.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 179.656 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' ' 129' ' ' LYS . 29.0 pt -75.69 -32.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.906 179.751 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 129' ' ' LYS . 39.5 p -70.53 -13.57 62.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.793 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -124.62 98.17 5.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.003 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -62.89 -16.23 58.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.854 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.91 -26.04 62.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.227 0.537 . . . . 0.0 110.22 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.5 m -68.51 -53.85 20.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.759 -179.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -56.29 -35.07 67.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.018 0.437 . . . . 0.0 111.577 -179.519 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 70.0 p -72.54 -53.55 11.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.832 -179.622 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.49 -36.27 80.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 91' ' ' LEU . 7.3 p -58.04 -31.64 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.547 179.445 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.25 -27.92 65.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -66.35 -44.1 84.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.769 179.662 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -62.86 -25.15 68.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -48.81 -45.96 41.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.46 -39.4 74.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 -179.848 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.41 ' HA ' ' HG3' ' A' ' 113' ' ' ARG . 55.8 mt-30 -59.76 -27.38 66.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.078 0.466 . . . . 0.0 110.703 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.45 -45.34 93.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.172 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.2 mt -67.72 -26.51 66.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.527 -179.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' A' ' 110' ' ' GLN . 36.5 mtp180 -52.36 -50.63 61.97 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 0.0 111.453 -179.61 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 83' ' ' PHE . 16.8 m -73.93 -41.79 53.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.752 -179.37 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -96.21 43.97 1.07 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.24 -179.665 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.48 -0.34 19.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -105.25 -36.94 7.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 179.939 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -82.39 143.78 30.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -80.69 -59.88 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -77.62 122.52 25.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.751 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 22.8 mm -117.0 104.0 51.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.94 113.32 1.34 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.317 2.011 . . . . 0.0 112.298 179.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 57.9 tp -139.01 150.92 46.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.936 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 34.8 tp -157.46 120.14 3.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.335 179.37 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.646 HG11 ' HB1' ' A' ' 147' ' ' ALA . 2.4 p -88.24 140.43 15.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.029 -179.413 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.513 HG11 HG11 ' A' ' 168' ' ' VAL . 60.7 t -141.79 147.82 21.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.429 -179.511 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 93' ' ' PHE . . . -131.42 114.35 1.52 Allowed Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.063 179.794 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -90.51 -165.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.626 0.251 . . . . 0.0 110.546 -179.691 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.574 ' HB3' HG12 ' A' ' 95' ' ' ILE . 12.0 tptm 65.92 9.77 6.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.937 -179.876 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -58.39 -9.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.533 -179.73 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.52 -5.85 12.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.967 0.413 . . . . 0.0 110.73 179.659 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.564 HD13 ' HD2' ' A' ' 135' ' ' ARG . 25.7 mt -124.37 88.26 2.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.97 -36.62 67.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.491 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.8 pt-20 -70.71 -20.79 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -179.645 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.564 ' HD2' HD13 ' A' ' 132' ' ' LEU . 98.6 mtt180 -105.61 4.55 30.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.24 -179.726 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -75.73 108.35 8.51 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.465 179.727 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -87.07 -32.28 20.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.098 -179.728 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 94.0 t -96.09 102.64 11.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.158 179.903 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.57 135.75 50.82 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.045 1.83 . . . . 0.0 111.287 179.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.537 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.6 p -50.04 -42.43 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.494 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -54.45 -47.06 73.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.379 -179.686 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.031 -179.832 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -61.43 -28.71 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.252 -179.853 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 63.3 mtt180 -75.74 -35.46 60.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.231 -179.607 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.0 t -65.72 -51.64 57.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.401 -179.576 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -45.07 85.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.59 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.646 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.78 -179.543 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -51.98 -32.56 34.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.251 -179.753 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -53.29 -42.38 66.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.803 0.335 . . . . 0.0 110.806 179.606 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 18.6 m0 -67.28 -22.3 65.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.735 179.842 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 101.74 33.8 4.6 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.298 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.19 -176.61 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.15 0.5 . . . . 0.0 111.463 -179.767 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.6 pm0 -125.43 133.77 52.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.477 178.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.565 ' HD1' HG22 ' A' ' 125' ' ' VAL . 33.8 t80 -95.12 139.02 32.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.081 0.467 . . . . 0.0 111.717 -178.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 54.7 t -128.14 154.16 38.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -88.91 146.98 24.59 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.044 179.455 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 37.2 p -148.46 167.21 25.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.204 0.526 . . . . 0.0 112.075 -179.026 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 p -149.02 109.44 4.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.386 179.599 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.17 1.34 2.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.519 -179.683 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -98.4 -48.27 5.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 10.9 p -96.15 2.2 52.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.247 -179.883 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 6.2 ppt_? 33.2 45.63 0.08 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.004 179.891 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -55.94 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.963 -179.538 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -111.73 13.84 21.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.62 -179.398 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.675 HG21 ' HB2' ' A' ' 33' ' ' GLN . 9.7 p -60.79 -40.85 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.661 0.267 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -73.99 -30.84 62.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.93 0.395 . . . . 0.0 110.799 179.434 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 40.4 tptt -55.08 -32.9 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.92 -179.355 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.2 m -74.88 -33.46 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.727 0.299 . . . . 0.0 111.678 -178.813 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -75.41 -42.27 54.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.813 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -71.89 -39.15 69.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.265 -179.846 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.86 -46.87 88.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 110.788 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.2 tp -67.09 -32.55 73.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.818 179.817 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.7 ttm -57.33 -42.09 81.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.999 -179.854 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.68 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 17.5 mm-40 -60.14 -52.59 64.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' A' ' 180' ' ' LYS . 59.6 mt -57.39 -31.95 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.674 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.513 ' HA ' ' HE ' ' A' ' 177' ' ' ARG . 1.4 mmp_? -70.44 -60.62 2.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.767 -179.762 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 89.4 m -86.27 -59.12 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -178.562 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 57.0 tttp -57.81 -54.02 51.67 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -177.718 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.538 ' HB2' ' HA ' ' A' ' 176' ' ' ILE . 2.0 tmtp? -63.46 -49.99 71.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 -178.578 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 26.3 mmt -71.33 -12.48 61.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.61 -179.276 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 43.6 t -58.73 -61.23 2.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 0.0 110.509 179.652 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 51.59 93.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.544 179.834 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -64.91 171.78 3.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.476 179.789 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 59.0 tttp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.009 -179.88 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.417 ' O3A' ' O1G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.853 0.359 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.91 171.17 8.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.259 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.0 tp -138.51 103.43 4.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -104.37 121.03 42.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 179.905 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -102.91 111.39 23.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.243 -179.638 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.33 132.9 42.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.73 179.562 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' A' ' 86' ' ' GLY . 24.6 mm -104.86 115.97 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 111.545 -179.558 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -72.03 88.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.016 179.494 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.536 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.7 p -95.84 155.03 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.56 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -176.23 -159.41 21.82 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.121 -179.7 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 87.9 p -68.36 -42.17 79.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.014 0.435 . . . . 0.0 110.691 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.82 32.16 0.52 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.477 -179.763 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.13 47.47 0.01 OUTLIER Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.692 179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' OG ' ' A' ' 22' ' ' SER . 22.7 t -106.29 -53.29 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.741 0.305 . . . . 0.0 111.025 179.873 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.74 34.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 89.4 mttt -46.67 -44.2 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.001 0.429 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 31' ' ' THR . 94.0 p -74.07 -29.39 61.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.318 -179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.48 -52.44 65.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.936 -179.118 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.655 HD12 HG23 ' A' ' 165' ' ' VAL . 2.9 mm? -64.02 -25.28 68.05 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.206 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.51 ' HB ' ' O ' ' A' ' 28' ' ' SER . 91.5 m -68.75 -43.16 76.43 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.251 -179.842 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.19 -35.86 71.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.678 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 165' ' ' VAL . 14.2 mm100 -67.1 -29.7 69.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 111.079 -179.668 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -73.45 -50.46 21.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.945 -179.824 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 51.8 ttm -82.09 -50.04 9.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -178.165 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -87.06 -25.45 24.18 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -178.269 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 18.3 t70 57.96 33.37 23.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.183 0.516 . . . . 0.0 109.978 -179.32 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -147.55 131.57 17.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.68 -179.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -75.43 106.66 7.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.65 154.4 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.599 179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -58.17 -90.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.046 -179.778 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 47.11 89.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 111.502 -179.864 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -110.82 152.18 26.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.763 179.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -156.63 131.82 5.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.6 128.74 17.6 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.505 2.137 . . . . 0.0 112.126 179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.1 m -67.82 121.99 17.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.022 -179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -124.05 -62.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.12 -11.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -75.47 129.08 36.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.113 -179.783 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 p -122.06 161.41 23.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.816 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -93.79 157.63 16.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -142.46 139.8 31.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.638 179.78 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -157.07 143.81 18.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.013 -179.829 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 98.0 mttt -103.31 118.67 37.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.92 146.66 32.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 10.1 p -72.72 139.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.016 179.793 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD11 ' HG2' ' A' ' 174' ' ' ARG . 60.7 tp -131.02 99.03 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 t70 56.41 30.74 17.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.629 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 108.69 -39.81 2.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.791 179.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -92.23 115.67 28.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 40.5 tt0 -73.16 127.12 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.288 -179.82 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.7 m -127.6 161.35 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.79 179.509 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.561 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 20.5 mt-30 -97.61 157.23 16.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.097 -179.726 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 14.7 tt -131.55 137.83 54.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.732 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -119.95 117.18 27.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.694 179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.445 HG21 HG23 ' A' ' 31' ' ' THR . 67.3 mt -116.49 133.5 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.594 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' HB3' HG23 ' A' ' 69' ' ' THR . 0.4 OUTLIER -109.83 134.04 52.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.232 179.488 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -50.76 -39.65 52.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.405 -179.704 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.454 HG23 ' HB3' ' A' ' 67' ' ' LEU . 74.9 p 48.99 94.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.826 179.832 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.44 168.66 17.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.947 179.707 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.12 90.71 1.68 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.438 179.831 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' ' 75' ' ' TYR . 8.6 mp -57.98 -72.72 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.643 0.258 . . . . 0.0 110.539 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 57.48 14.31 2.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.283 179.693 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -135.37 -13.9 2.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' HB2' HD23 ' A' ' 72' ' ' LEU . 42.2 m-85 -134.69 93.39 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.638 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.05 -16.87 59.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.494 -179.832 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -95.0 -28.8 14.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.705 -179.608 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 64.7 mt -81.17 -27.24 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.65 0.262 . . . . 0.0 111.387 -179.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -58.84 -29.86 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 -179.901 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -62.15 -31.22 71.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.814 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -56.65 -34.78 67.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.397 -179.822 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -74.67 -35.54 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.731 -179.521 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -76.7 -23.44 53.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.823 -179.156 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -80.71 -29.72 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.0 m -85.33 -3.32 58.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -118.61 165.26 12.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.605 179.978 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -112.25 -52.85 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.498 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.39 159.23 33.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.524 179.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -137.83 133.04 33.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.488 HD23 ' HB3' ' A' ' 124' ' ' LEU . 23.6 mt -127.6 105.05 8.21 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 179.618 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.62 HD11 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.8 123.27 29.19 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.161 179.601 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 126' ' ' VAL . 39.4 t -126.75 130.02 71.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.939 -179.164 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.567 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.6 p90 -147.15 149.96 34.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.243 178.57 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -90.71 154.27 19.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.908 0.385 . . . . 0.0 111.153 -179.646 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.622 HG12 ' HB3' ' A' ' 129' ' ' LYS . 23.7 pt -78.34 -37.73 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.294 179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.423 ' N ' HG13 ' A' ' 95' ' ' ILE . 40.4 p -65.26 -22.82 66.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.404 -179.773 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -110.25 95.25 5.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.261 -179.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -63.22 -16.15 59.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.917 179.405 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -73.32 -27.3 61.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -178.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' A' ' 93' ' ' PHE . 80.6 p -70.22 -53.46 16.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -179.255 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -52.17 -38.3 57.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.672 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 69.7 p -72.25 -53.61 12.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.806 -179.393 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -60.0 -39.56 86.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.62 ' HB ' HD11 ' A' ' 91' ' ' LEU . 20.6 p -57.94 -31.95 67.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.305 179.415 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 102' ' ' THR . . . -60.02 -38.05 81.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.824 179.68 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -64.86 -44.34 90.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.847 179.801 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -58.84 -27.38 65.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -55.83 -44.35 77.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.502 179.637 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.93 -36.58 72.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 179.703 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.496 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 58.1 mm-40 -59.82 -28.66 67.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.049 0.452 . . . . 0.0 110.828 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.19 -41.81 90.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.98 -26.45 65.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.954 -179.653 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 26.3 mmm180 -50.52 -50.63 52.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.809 0.337 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.545 HG23 ' HG2' ' A' ' 115' ' ' LYS . 15.1 m -70.57 -21.67 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -179.847 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.545 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.7 mmtt -110.63 45.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.518 179.614 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.54 -37.53 27.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.411 -179.739 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.08 -39.23 86.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.369 . . . . 0.0 110.315 179.445 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 63.45 141.79 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.621 179.772 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' ' 120' ' ' LYS . 23.0 t70 -172.11 -60.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.985 179.847 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.448 ' HD2' ' HG2' ' A' ' 179' ' ' LYS . 73.1 mmtt -145.41 93.85 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.009 179.417 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mm -99.85 103.8 24.36 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.434 -179.183 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.498 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 96.8 Cg_endo -81.59 123.41 4.28 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 122.377 2.051 . . . . 0.0 112.128 179.427 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 61.9 tp -142.45 160.42 40.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 111.332 -179.571 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.488 ' HB3' HD23 ' A' ' 90' ' ' LEU . 52.5 tp -161.65 131.83 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.202 179.235 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' A' ' 147' ' ' ALA . 3.9 p -107.25 144.33 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.935 0.397 . . . . 0.0 112.044 -178.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.524 ' HB ' HG11 ' A' ' 168' ' ' VAL . 3.5 p -139.58 152.01 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.988 179.303 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -125.7 104.34 0.75 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.817 179.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' A' ' 157' ' ' THR . 28.1 p-10 -83.67 -167.4 1.7 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.261 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.622 ' HB3' HG12 ' A' ' 95' ' ' ILE . 35.4 tptt 67.27 9.52 7.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.404 ' HA ' HH21 ' A' ' 136' ' ' ARG . 46.8 t -59.66 -12.12 6.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.469 -179.468 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -60.52 -12.8 10.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 0.0 110.594 179.715 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.513 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 35.9 mt -118.13 88.27 2.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.73 -32.19 65.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.355 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -81.22 -14.15 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.462 -179.557 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.513 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 29.0 mtp180 -109.72 11.61 24.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.162 -179.944 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 136' ' ' ARG . 43.5 ttm105 -75.77 111.48 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.89 0.376 . . . . 0.0 110.723 179.839 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -89.98 -20.31 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.18 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.1 t -112.01 99.49 45.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.355 -179.946 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 142' ' ' GLU . 18.4 Cg_endo -59.86 135.25 62.13 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.193 1.929 . . . . 0.0 111.373 179.078 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.504 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.5 p -52.56 -43.54 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.741 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -54.8 -49.4 71.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.499 -179.541 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.439 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 43.8 tt0 -68.28 -31.49 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.825 -179.895 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.37 -28.89 62.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.449 -179.75 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 64.4 mtt180 -76.21 -38.34 56.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.174 -179.792 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.0 t -64.09 -36.18 83.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.506 -179.332 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -45.7 23.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.878 -179.565 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.588 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -63.29 -39.44 94.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.6 -179.539 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.73 -32.84 63.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.709 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -52.47 -46.03 66.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.988 179.848 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.02 -28.77 69.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.83 30.32 3.27 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.478 179.845 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.6 165.71 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.976 0.417 . . . . 0.0 111.462 -179.992 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -106.99 127.36 53.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.784 178.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.503 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.6 t80 -94.96 143.1 26.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 -179.376 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.9 p -138.88 153.76 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.58 -179.744 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -90.84 138.69 31.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.287 179.307 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.711 HG22 ' HB2' ' A' ' 164' ' ' ASN . 73.9 p -145.97 168.25 21.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.943 0.401 . . . . 0.0 111.444 -179.408 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 51.6 m -132.26 110.43 10.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.455 179.548 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.15 0.39 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.519 -179.705 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -99.83 -41.89 7.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 53.2 p -91.22 -3.69 56.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.843 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? 36.13 38.57 0.07 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.976 179.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.8 -56.04 4.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.869 -179.458 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.711 ' HB2' HG22 ' A' ' 157' ' ' THR . 62.9 m-20 -112.12 20.4 16.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.578 -179.45 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.655 HG23 HD12 ' A' ' 30' ' ' LEU . 6.9 p -67.37 -40.48 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.627 0.251 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.65 -14.78 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.363 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 164' ' ' ASN . 20.1 ttmm -59.54 -37.3 78.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.524 HG11 ' HB ' ' A' ' 126' ' ' VAL . 25.1 m -75.72 -26.77 18.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -178.418 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -74.01 -48.48 29.92 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.828 0.346 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -72.29 -40.67 67.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.753 -179.815 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -57.37 -51.82 67.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.058 -179.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.428 ' O ' HG13 ' A' ' 176' ' ' ILE . 59.7 tp -67.92 -33.18 74.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 48.8 ttm -54.11 -51.48 64.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.819 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.418 ' HG2' HD11 ' A' ' 57' ' ' LEU . 99.5 mtt180 -65.12 -34.51 78.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.68 -31.06 71.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.412 -179.687 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.483 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 80.9 mt -72.78 -55.12 13.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.388 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -65.28 -26.39 68.05 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -179.045 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.3 m -87.91 -59.79 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -179.304 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.448 ' HG2' ' HD2' ' A' ' 120' ' ' LYS . 81.5 tttt -71.21 -54.23 11.67 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.066 0.765 . . . . 0.0 113.066 -178.144 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 53.7 tptt -59.0 -55.68 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 25.0 mmt -63.04 -16.51 60.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.689 -179.344 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 47.0 t -61.76 -61.09 2.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.671 0.272 . . . . 0.0 110.974 -179.763 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 56.55 17.43 3.03 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -83.13 123.36 29.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.952 -179.853 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.0 mp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.719 0.295 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.97 159.5 9.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.06 179.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 63' ' ' GLN . 2.2 tt -136.26 119.61 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.726 -179.899 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -107.87 151.97 25.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 54.3 mttp -129.81 110.27 11.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.253 -179.539 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 66' ' ' ILE . 7.6 p -104.49 126.88 59.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.602 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.1 mm -108.44 114.63 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.253 -179.834 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.59 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 91.3 mmm -65.95 91.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.468 179.455 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 21' ' ' GLY . 9.6 p -100.72 166.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.091 -179.731 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 179.1 -151.96 10.73 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.336 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.506 ' HB3' HG23 ' A' ' 104' ' ' THR . 58.9 p -72.64 -37.37 68.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.105 0.479 . . . . 0.0 110.474 179.812 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.48 -28.0 3.18 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.034 -179.724 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.87 74.18 0.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.299 179.823 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.644 HG21 ' HA ' ' A' ' 93' ' ' PHE . 42.4 t -134.94 -48.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.739 0.304 . . . . 0.0 111.256 -179.695 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 138.51 44.44 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.759 179.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 16.9 ptpt -55.01 -25.17 28.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 110.923 179.769 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' A' ' 31' ' ' THR . 89.1 p -82.75 -29.39 29.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -59.3 -52.2 66.66 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.025 -178.693 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.671 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.8 mm? -62.54 -24.7 67.66 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.315 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 28' ' ' SER . 51.2 m -70.61 -45.67 64.82 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.802 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 70.5 mt -70.08 -29.43 66.42 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.66 -179.25 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' HB2' HG11 ' A' ' 165' ' ' VAL . 12.7 mm100 -74.84 -37.94 62.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.203 -179.668 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -73.03 -40.56 65.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.549 -179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 68.4 mtp -82.23 -50.06 9.41 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -178.332 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -103.04 -24.41 13.63 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.8 m-20 62.3 35.54 15.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.144 0.497 . . . . 0.0 110.061 -179.132 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -143.85 131.39 21.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.603 -179.534 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.51 111.71 22.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG12 ' H ' ' A' ' 42' ' ' ASP . 18.9 t -125.84 136.59 60.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.857 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.8 -23.07 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.295 -179.674 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.701 ' H ' HG12 ' A' ' 40' ' ' VAL . 20.4 t70 -66.03 156.59 33.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.278 -179.662 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -157.81 149.52 21.84 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.696 179.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 42.9 mt-10 -128.39 147.18 62.78 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.149 -179.847 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 8.0 Cg_exo -72.12 157.96 53.1 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.772 2.315 . . . . 0.0 112.191 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 48' ' ' ALA . 62.4 m -83.11 110.88 18.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -88.36 35.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 46' ' ' THR . . . 64.15 11.83 6.57 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.261 -179.857 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -99.61 128.38 45.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.549 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.8 m -94.8 158.49 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.185 -179.743 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 12.7 m-85 -100.14 142.59 31.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.3 179.727 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HA ' ' O ' ' A' ' 64' ' ' ILE . 37.0 ttm180 -150.98 140.2 21.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.963 0.411 . . . . 0.0 111.208 179.794 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -156.2 164.9 37.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.93 -179.794 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -93.01 124.72 37.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 -179.933 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.81 150.16 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.317 179.986 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 36.3 t -97.16 143.64 12.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.8 tp -143.3 108.31 4.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 54.67 30.87 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.0 -39.36 2.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.598 179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -80.33 115.92 20.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 37.9 tt0 -84.9 115.81 22.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 -179.684 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.89 154.68 35.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.538 ' HB2' ' HG ' ' A' ' 14' ' ' LEU . 17.7 mt-30 -89.38 143.71 26.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.631 179.864 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 17.2 tt -113.82 145.66 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.605 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 13.6 t70 -129.18 121.23 27.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.975 -179.8 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.401 HG12 HG13 ' A' ' 17' ' ' VAL . 97.8 mt -119.63 140.13 44.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -143.51 122.42 12.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.1 144.2 25.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.9 p -108.31 -40.56 5.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.059 179.985 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.97 -172.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.236 179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.07 98.3 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.445 179.801 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.602 HD12 ' HD3' ' A' ' 79' ' ' ARG . 97.4 mt -81.36 11.06 4.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.745 0.307 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 62.84 6.15 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.471 179.709 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 64.06 132.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 111.667 179.667 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.405 ' HB3' ' H ' ' A' ' 76' ' ' ALA . 40.2 m-85 -146.64 -162.36 1.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.133 179.747 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' H ' ' HB3' ' A' ' 75' ' ' TYR . . . -53.59 -54.28 39.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.678 -179.605 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.3 23.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.309 -179.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.7 mt -56.91 -23.63 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.602 ' HD3' HD12 ' A' ' 72' ' ' LEU . 32.2 mmt180 -60.26 -48.13 83.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.697 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -62.25 -35.0 77.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.35 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.61 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 0.9 OUTLIER -54.43 -35.94 63.49 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.547 -179.649 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -76.84 -38.48 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.274 -179.628 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' HB2' HG11 ' A' ' 114' ' ' VAL . 38.7 m-85 -67.33 -19.76 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 79.8 mtm180 -72.56 -38.95 67.81 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.707 179.481 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.0 p -77.77 2.07 18.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -116.67 166.76 12.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.333 179.774 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.591 ' HB3' ' HE3' ' A' ' 180' ' ' LYS . 18.1 mm-40 -113.44 -69.98 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.571 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -85.75 158.56 32.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.483 179.793 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -124.7 143.02 50.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD11 HG23 ' A' ' 168' ' ' VAL . 1.0 OUTLIER -126.94 104.69 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.581 HD11 ' HB ' ' A' ' 104' ' ' THR . 16.6 tp -82.46 127.61 33.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.735 -179.836 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.85 140.8 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.757 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.709 ' HB3' HG21 ' A' ' 104' ' ' THR . 22.4 p90 -146.26 171.76 14.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.636 179.206 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.489 ' HB2' ' HB2' ' A' ' 97' ' ' GLU . 68.1 m -105.12 129.68 53.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.069 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 pt -63.55 -25.33 38.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.802 179.704 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.477 HG23 ' HG2' ' A' ' 97' ' ' GLU . 9.7 t -86.15 -14.17 44.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 94' ' ' SER . 11.9 mm-40 -113.51 94.09 4.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.865 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -62.74 -16.76 59.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.55 -26.46 60.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.611 -179.612 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.1 m -75.64 -53.64 8.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.6 -179.125 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -52.35 -32.93 40.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -179.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.6 p -72.84 -54.53 8.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.721 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -65.87 -36.68 84.1 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.043 -179.552 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 93' ' ' PHE . 6.8 p -53.02 -37.94 61.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.131 0.491 . . . . 0.0 110.53 179.56 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.95 -30.84 61.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.649 179.707 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -70.97 -30.72 67.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.44 -24.64 65.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.696 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.48 ' HA ' HD12 ' A' ' 111' ' ' ILE . 31.9 mtp-105 -49.64 -37.4 28.12 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.865 0.365 . . . . 0.0 111.032 -179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -67.2 -36.9 82.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -71.02 -26.82 63.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.0 110.307 179.603 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 108' ' ' ARG . 91.9 mt -69.81 -37.39 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.096 179.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.0 mt -68.07 -26.25 65.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.595 -179.922 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -50.73 -51.59 48.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.784 0.326 . . . . 0.0 111.79 -179.345 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.638 HG23 ' HG2' ' A' ' 115' ' ' LYS . 13.6 m -65.35 -33.98 67.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.612 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.638 ' HG2' HG23 ' A' ' 114' ' ' VAL . 74.4 mmtt -109.96 57.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.142 179.203 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -48.79 -41.31 32.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.589 -179.487 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -55.48 -48.18 74.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.916 0.388 . . . . 0.0 110.456 179.438 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.401 ' HA ' HD11 ' A' ' 121' ' ' ILE . 38.9 tt0 54.92 97.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.665 179.665 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.21 -45.36 1.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.009 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.494 ' HG3' ' H ' ' A' ' 183' ' ' GLU . 72.4 mmtt -148.16 77.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.129 179.394 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.401 HD11 ' HA ' ' A' ' 118' ' ' GLU . 16.7 mm -81.39 108.45 10.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 -179.798 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.571 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 87.0 Cg_endo -83.49 104.05 1.14 Allowed 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.358 2.039 . . . . 0.0 112.22 -179.933 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 41.5 tp -116.39 163.1 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.817 -179.661 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 29.9 tp -158.63 121.22 3.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.165 179.772 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.927 HG11 ' HB1' ' A' ' 147' ' ' ALA . 5.3 p -99.69 139.78 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.12 0.486 . . . . 0.0 111.634 -179.109 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.555 HG11 HG11 ' A' ' 168' ' ' VAL . 11.8 t -144.31 150.38 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.29 179.581 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.87 124.55 5.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.608 -179.755 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -93.44 -164.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.82 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.451 ' HB3' HD12 ' A' ' 132' ' ' LEU . 34.4 mmtp 56.07 20.35 4.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.79 -179.744 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.3 m -61.23 -17.06 51.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -79.52 12.94 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 179.784 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.451 HD12 ' HB3' ' A' ' 129' ' ' LYS . 36.7 mt -123.48 79.28 1.67 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 -179.901 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -72.99 -20.07 61.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.317 -179.833 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.6 pt-20 -91.56 -38.89 12.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.228 -179.729 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.48 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 96.6 mtt180 -81.93 2.14 31.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.339 -179.386 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 136' ' ' ARG . 45.3 ttm180 -64.61 107.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.05 -179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.16 -32.85 15.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.075 179.473 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.71 111.79 63.77 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.433 179.393 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_exo -51.01 124.71 14.43 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 121.891 1.728 . . . . 0.0 111.546 179.653 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 6.8 p -49.78 -40.03 15.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.763 -179.589 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -65.23 -47.54 76.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.824 179.706 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -58.99 -30.42 67.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.632 179.809 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.93 -28.6 64.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.773 179.865 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 92.1 mtt180 -73.75 -34.79 64.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.191 -179.757 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.1 t -65.58 -46.3 79.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.338 -179.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.452 ' NZ ' ' NE1' ' A' ' 150' ' ' TRP . 0.3 OUTLIER -73.09 -46.34 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.983 0.421 . . . . 0.0 110.968 -179.638 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.927 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -55.97 -48.83 75.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.903 -179.303 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -50.95 -31.72 18.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.461 -179.717 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.451 ' HG3' ' HE2' ' A' ' 146' ' ' LYS . 9.8 mm-40 -52.66 -42.06 64.37 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.628 0.251 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.452 ' NE1' ' NZ ' ' A' ' 146' ' ' LYS . 9.6 m0 -71.62 9.49 0.84 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.637 -179.764 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 68.79 25.7 75.02 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.623 179.726 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.442 HG22 ' HB2' ' A' ' 150' ' ' TRP . 31.3 m -126.17 154.33 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.34 -179.915 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -95.35 128.73 42.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.801 178.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.603 ' HD1' HG22 ' A' ' 125' ' ' VAL . 36.1 t80 -95.11 128.32 41.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 -179.449 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.416 HG13 HG13 ' A' ' 126' ' ' VAL . 7.4 p -121.94 154.35 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.539 -179.415 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -92.48 136.27 33.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 -179.904 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 48.5 p -141.64 172.62 12.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.403 179.824 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.417 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 56.4 m -148.63 110.98 4.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.375 179.729 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.55 -2.42 3.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.447 -179.6 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -99.26 -38.96 8.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 47.7 p -97.5 -4.12 38.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.569 -179.641 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.407 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 2.6 ppt_? 35.04 39.26 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.496 0.498 . . . . 0.0 111.866 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.12 4.75 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.211 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -112.03 10.02 20.41 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -179.246 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 168' ' ' VAL . 59.8 t -64.44 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.802 0.334 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -73.31 -14.48 61.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 179.405 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -76.97 -30.74 56.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.835 -179.222 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 165' ' ' VAL . 3.5 m -72.88 -30.06 31.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 0.0 111.532 -179.273 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -74.84 -44.77 47.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -71.74 -30.52 65.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.259 179.822 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -64.54 -53.89 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.333 -179.65 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -63.9 -32.06 73.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.692 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.16 -37.14 64.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -69.36 -37.0 77.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.72 -47.87 83.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.536 179.688 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.521 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 62.5 mt -58.65 -32.27 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -73.53 -54.93 7.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.901 -179.578 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 77.3 m -87.59 -59.33 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -178.679 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 182' ' ' SER . 52.4 tttp -57.44 -54.16 49.96 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.493 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.591 ' HE3' ' HB3' ' A' ' 87' ' ' GLU . 24.4 ttmm -64.38 -51.84 61.25 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.738 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 56.0 mtt -64.63 -13.46 53.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.674 -179.258 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.448 ' HB2' ' O ' ' A' ' 179' ' ' LYS . 5.6 m -66.55 -61.13 2.14 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.701 0.286 . . . . 0.0 110.744 179.65 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . 0.494 ' H ' ' HG3' ' A' ' 120' ' ' LYS . 42.9 mt-10 60.39 109.63 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.351 179.74 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -76.96 -11.36 59.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.87 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.676 179.798 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.427 ' O1G' ' O3A' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 12' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.703 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.59 171.72 7.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.233 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.3 tp -139.51 106.58 5.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.799 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -105.64 152.68 22.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 -179.944 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 94.3 mttt -127.89 131.49 49.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 p -118.57 132.23 69.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.889 0.375 . . . . 0.0 111.279 179.726 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.9 mm -110.77 112.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.56 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 97.4 mmm -67.81 95.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.752 179.671 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG13 ' HA ' ' A' ' 91' ' ' LEU . 12.3 p -101.29 159.28 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.705 179.717 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -175.4 -160.54 23.34 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.699 -179.878 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 100' ' ' SER . 26.1 t -61.1 -46.19 91.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.17 -6.31 3.37 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.382 -179.72 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.77 54.52 0.33 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.216 179.905 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 93' ' ' PHE . 52.5 t -114.6 -35.53 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.623 0.249 . . . . 0.0 111.4 -179.669 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.415 ' O ' HD22 ' A' ' 30' ' ' LEU . . . 122.21 50.71 0.24 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.745 179.715 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.58 -35.6 72.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.109 0.481 . . . . 0.0 110.638 179.864 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.525 ' O ' ' HB ' ' A' ' 31' ' ' THR . 77.8 p -67.29 -29.05 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.137 179.71 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.15 -52.57 64.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.203 -178.893 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -62.13 -25.06 67.52 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.511 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.525 ' HB ' ' O ' ' A' ' 28' ' ' SER . 42.0 m -68.88 -48.58 63.02 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.311 -0.858 . . . . 0.0 111.565 -179.563 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.94 -30.73 67.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.622 -179.599 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' HB3' HG11 ' A' ' 165' ' ' VAL . 29.0 mm-40 -71.93 -31.69 66.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 111.134 -179.79 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -72.92 -39.22 66.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.441 179.717 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.1 ttm -82.59 -49.76 9.51 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.271 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -104.95 -26.3 12.23 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.137 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 62.63 30.7 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.084 0.469 . . . . 0.0 110.193 -179.325 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.444 ' C ' HE22 ' A' ' 33' ' ' GLN . 9.6 tp10 -134.89 127.45 30.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.379 -179.65 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -87.47 116.84 25.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.476 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.77 139.28 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.867 179.593 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -63.95 97.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -166.36 126.86 1.68 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -152.73 147.89 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -127.02 147.51 61.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.963 179.977 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_exo -58.12 150.59 64.42 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.572 2.181 . . . . 0.0 112.398 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.1 m -94.79 104.73 16.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.971 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -102.87 -71.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.783 179.802 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.408 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -165.38 3.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' H ' ' H ' ' A' ' 48' ' ' ALA . 15.1 m-20 -76.19 127.84 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.6 p -111.62 162.12 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.005 -179.942 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 45.7 m-85 -109.37 138.18 46.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.679 179.935 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -137.29 142.97 41.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -163.61 136.78 5.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.739 179.846 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -80.33 121.29 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.211 -179.749 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.8 m -137.27 138.07 45.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.719 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 11.7 p -81.87 144.21 10.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 111.329 -179.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD23 HH11 ' A' ' 177' ' ' ARG . 55.6 tp -137.15 108.06 6.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.629 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.3 t70 56.37 30.92 17.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.35 -36.89 3.84 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.436 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -85.92 116.31 24.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 34.6 tt0 -82.77 132.88 35.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 -179.809 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.4 153.68 22.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.941 179.746 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -91.63 129.51 37.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.6 tt -105.54 137.45 35.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.539 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 15.8 t70 -121.98 113.6 19.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.395 179.621 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 68.0 mt -110.28 140.7 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.998 0.428 . . . . 0.0 111.659 -179.337 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -133.27 99.17 4.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.274 179.976 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.69 132.27 53.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.695 -179.978 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.6 p -125.0 126.09 44.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.324 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.88 -166.18 1.16 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.763 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.0 90.94 0.03 OUTLIER Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.254 179.757 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.0 mt -79.7 -6.33 56.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 111.371 -179.617 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -79.75 78.97 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.929 0.395 . . . . 0.0 110.63 179.875 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -168.12 -43.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.719 -179.79 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -72.37 166.95 21.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.8 -51.6 12.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.044 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -147.94 -3.97 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.094 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.67 -23.2 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 179.474 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -66.55 -46.14 77.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.781 179.426 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -56.44 -30.82 63.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.182 -179.895 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' HA ' ' HE ' ' A' ' 84' ' ' ARG . 27.5 t-20 -52.41 -37.34 56.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.319 -179.863 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -73.08 -39.76 65.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 -179.881 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.661 ' HB3' HG21 ' A' ' 114' ' ' VAL . 2.3 m-85 -63.48 -26.59 68.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.489 179.566 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.551 ' HE ' ' HA ' ' A' ' 81' ' ' ASN . 76.9 mtm180 -83.63 -11.63 57.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.476 -179.671 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.0 t -84.38 -12.65 54.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.138 -179.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.21 161.83 22.0 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.591 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 33.8 mt-10 -100.75 -37.85 8.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.711 179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.631 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -95.23 157.5 22.03 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.298 179.719 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -132.09 142.92 49.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 110.942 -179.902 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 168' ' ' VAL . 2.2 tt -134.1 105.88 6.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.691 179.744 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.658 HD21 ' HB ' ' A' ' 104' ' ' THR . 4.6 tp -82.88 134.79 35.07 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.952 -179.791 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.4 t -138.43 139.61 41.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.497 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.577 ' HA ' HG21 ' A' ' 25' ' ' VAL . 13.3 p90 -147.99 145.02 28.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.775 179.166 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HG13 ' A' ' 25' ' ' VAL . 28.7 t -83.01 145.19 29.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.858 0.361 . . . . 0.0 110.925 179.851 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.487 HD13 ' HE ' ' A' ' 136' ' ' ARG . 23.9 pt -78.06 -33.81 18.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.658 179.623 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 22.7 p -66.55 -17.63 64.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.655 179.419 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -119.34 100.46 7.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.402 ' HB2' ' NE2' ' A' ' 137' ' ' GLN . 56.8 t-80 -63.03 -17.02 61.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.921 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.0 -26.27 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.963 0.411 . . . . 0.0 110.489 -179.619 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.451 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 35.1 m -66.24 -53.94 31.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.277 -179.503 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -56.57 -39.58 73.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.519 -179.806 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.7 p -72.65 -53.46 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.219 -179.296 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.13 83.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.282 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.658 ' HB ' HD21 ' A' ' 91' ' ' LEU . 5.0 p -54.65 -31.05 56.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 179.496 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.03 80.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.027 -179.751 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.5 -42.86 97.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 179.707 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -65.96 -27.74 68.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.327 -179.744 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -48.66 -49.44 37.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.016 -179.77 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.68 -40.33 73.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 -179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -58.13 -28.72 64.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.2 mt -67.81 -26.53 66.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.38 -179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -60.46 -50.44 73.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.565 -179.611 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' A' ' 83' ' ' PHE . 4.4 m -68.87 -17.03 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.65 -179.565 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 118' ' ' GLU . 74.8 mmtt -125.07 38.69 4.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 0.0 110.788 179.811 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.79 -27.93 68.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.62 -20.0 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.733 179.857 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 16.6 mm-40 -95.94 142.45 28.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.77 179.871 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.38 -64.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.757 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -73.7 111.22 8.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 41.4 mm -113.21 106.67 54.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.676 179.778 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.631 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 45.0 Cg_endo -67.02 111.99 2.37 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 0.0 112.221 -179.704 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.1 tp -127.69 152.51 47.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.731 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.446 ' HB2' HD13 ' A' ' 172' ' ' LEU . 28.6 tp -154.54 116.87 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.129 179.581 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.654 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.3 p -92.82 138.24 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.453 -179.244 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 168' ' ' VAL . 15.3 t -141.84 155.3 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.897 -179.847 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.401 ' N ' HG12 ' A' ' 126' ' ' VAL . . . -113.83 136.01 12.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.06 179.528 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -105.1 -179.38 3.93 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 -179.87 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? 58.19 20.97 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.019 0.438 . . . . 0.0 110.662 -179.829 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 46.3 t -64.96 -8.21 14.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -66.29 -8.74 26.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.505 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.9 mt -118.36 77.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.769 179.897 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -72.64 -20.06 61.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.406 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.4 pt-20 -82.24 -20.77 36.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.102 -179.868 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.406 ' HG3' ' HG3' ' A' ' 134' ' ' GLU . 99.7 mtt180 -107.57 1.8 23.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.487 ' HE ' HD13 ' A' ' 95' ' ' ILE . 45.3 ttm180 -64.93 108.34 1.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.402 ' NE2' ' HB2' ' A' ' 98' ' ' HIS . 10.4 tt0 -83.47 -32.82 25.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.235 -179.586 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 84.5 t -90.63 108.26 26.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.17 -179.814 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -63.02 125.36 15.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 121.986 1.79 . . . . 0.0 111.205 179.235 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -47.37 -42.27 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.546 -179.439 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -54.23 -49.24 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.387 -179.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.54 -27.27 64.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.946 0.403 . . . . 0.0 110.455 179.716 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.05 -28.76 61.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 66.5 mtm180 -77.31 -42.58 36.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 40.1 t -56.76 -47.62 79.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.374 -179.781 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 1.5 tmmm? -66.57 -48.41 69.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -53.15 -38.4 62.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.564 -179.595 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.69 -31.79 72.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.235 -179.74 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -50.63 -39.53 50.65 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.828 0.346 . . . . 0.0 110.831 179.761 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.5 ' CZ2' ' HE3' ' A' ' 146' ' ' LYS . 41.2 m0 -73.27 -27.88 61.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.56 18.17 8.71 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.088 -179.656 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 31.3 m -122.87 -175.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.074 0.464 . . . . 0.0 111.272 -179.811 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -123.87 129.79 51.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.281 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.654 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.8 t80 -94.82 143.43 26.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.052 0.453 . . . . 0.0 111.25 -179.498 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 3.0 p -139.49 155.03 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.15 -179.718 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -95.29 147.16 23.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 32.9 p -150.49 149.75 30.39 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.985 0.421 . . . . 0.0 111.625 -179.508 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.9 m -115.79 110.03 18.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.46 179.609 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.83 -1.1 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.455 -179.815 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -96.52 -39.44 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.791 -179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.8 p -97.1 -6.1 35.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.486 ' HB3' ' HB3' ' A' ' 33' ' ' GLN . 6.4 ppt_? 34.83 39.2 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.863 -179.731 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.16 -55.22 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.854 -179.702 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -110.35 14.73 22.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.945 -179.005 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.571 ' O ' HG22 ' A' ' 168' ' ' VAL . 8.9 p -66.61 -41.08 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.711 0.291 . . . . 0.0 111.281 -179.806 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -73.44 -25.04 60.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 179.877 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.11 -31.49 68.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.72 -179.31 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 126' ' ' VAL . 3.4 m -79.17 -29.07 13.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.672 0.272 . . . . 0.0 111.386 -179.567 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -73.06 -43.39 62.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.475 179.57 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -72.14 -41.01 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.02 179.735 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -56.84 -47.85 79.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.039 -179.888 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.446 HD13 ' HB2' ' A' ' 124' ' ' LEU . 58.0 tp -66.2 -34.96 79.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.766 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 177' ' ' ARG . 52.4 ttm -57.54 -37.56 73.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.692 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -68.1 -34.71 76.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.803 179.812 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.12 -48.58 75.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 179.828 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.504 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.8 mt -57.89 -32.18 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.38 -179.746 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.424 HH11 HD23 ' A' ' 57' ' ' LEU . 78.3 mtp180 -74.98 -50.82 15.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.945 -179.358 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.4 m -87.34 -58.9 2.41 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -178.488 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -60.75 -54.18 48.34 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -177.53 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 59.9 tttp -63.05 -56.03 20.5 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -178.44 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 24.7 mmt -63.49 -12.68 33.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.09 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 178' ' ' THR . 42.5 t -65.62 -60.94 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.736 0.303 . . . . 0.0 111.02 179.897 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 58.55 178.64 0.07 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.26 -179.918 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 63.67 145.9 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.444 -179.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.941 179.84 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.9 mp . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.733 0.301 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.32 148.04 43.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 tp -123.51 111.96 16.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -111.81 136.05 51.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.996 179.862 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 99.7 mttt -109.39 115.34 29.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.6 130.16 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.8 mm -110.55 131.84 60.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.093 179.834 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.649 ' HB3' ' HB2' ' A' ' 27' ' ' LYS . 90.8 mmm -78.22 82.12 4.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.557 179.588 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG22 ' N ' ' A' ' 21' ' ' GLY . 14.1 p -85.37 158.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.801 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 176.48 -161.13 29.1 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.823 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 104' ' ' THR . 59.8 p -63.54 -45.08 92.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.801 -179.88 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.22 -45.11 0.88 Allowed Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.059 -179.658 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -125.19 86.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.138 -0.554 . . . . 0.0 111.932 179.604 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.611 HG21 ' HA ' ' A' ' 93' ' ' PHE . 19.7 t -134.74 -59.54 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.35 -179.354 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 139.68 46.52 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.131 -179.633 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.649 ' HB2' ' HB3' ' A' ' 19' ' ' MET . 0.0 OUTLIER -61.32 -45.09 95.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.52 -179.652 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' A' ' 31' ' ' THR . 17.0 p -50.96 -29.45 12.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.283 179.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -60.76 -52.72 63.92 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.186 -179.028 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.69 HD22 ' H ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -63.02 -25.06 68.21 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.552 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.63 HG21 ' HB3' ' A' ' 68' ' ' ASP . 43.9 m -70.2 -42.66 72.05 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.085 -0.962 . . . . 0.0 111.358 -179.83 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 87.6 mt -71.3 -31.37 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.424 -179.729 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.583 HE21 ' HB3' ' A' ' 162' ' ' ARG . 9.8 mm100 -72.8 -27.82 62.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 111.382 -179.458 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -73.18 -47.78 40.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 0.0 111.31 179.716 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 52.5 tpp -82.14 -49.4 10.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -178.676 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -91.59 -29.93 16.65 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -178.231 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 9.5 m-20 59.36 36.89 23.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.219 0.533 . . . . 0.0 109.963 -179.074 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -148.45 128.49 13.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.678 -179.294 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -77.87 112.37 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.568 HG22 ' H ' ' A' ' 42' ' ' ASP . 8.2 p -145.23 148.66 17.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.938 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.18 8.42 2.66 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.568 ' H ' HG22 ' A' ' 40' ' ' VAL . 17.6 t70 -67.01 150.45 49.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.786 179.894 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -150.83 151.26 32.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.838 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -134.97 116.52 12.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.44 147.61 56.58 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.249 1.966 . . . . 0.0 111.959 179.807 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 69' ' ' THR . 86.3 m -134.78 125.45 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.328 -179.791 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -116.02 -30.44 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.398 179.483 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' H ' ' H ' ' A' ' 49' ' ' ASP . . . -171.61 4.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.207 179.777 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' H ' ' H ' ' A' ' 48' ' ' ALA . 3.8 p30 -98.55 135.74 39.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.502 ' HB2' HD23 ' A' ' 67' ' ' LEU . 24.4 t -128.08 176.77 7.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.244 -179.661 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -96.27 155.6 16.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.772 179.878 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -151.04 129.77 12.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.969 179.715 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -153.04 169.94 21.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HG2' ' HG2' ' A' ' 63' ' ' GLN . 94.7 mttt -109.84 131.72 54.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.278 -179.813 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.8 m -139.47 138.56 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.884 179.72 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.645 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 12.6 p -83.74 144.0 10.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.855 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -133.21 94.99 3.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.81 179.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 55.24 30.58 14.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 122.91 -56.21 0.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.612 -0.804 . . . . 0.0 113.319 179.491 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -79.92 121.98 26.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.999 0.428 . . . . 0.0 112.029 -179.155 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.645 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.6 tt0 -88.76 114.48 25.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.634 179.66 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.6 m -119.33 149.04 21.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.49 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.521 ' HG2' ' HG2' ' A' ' 54' ' ' LYS . 23.7 mt-30 -88.05 153.99 20.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.567 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -136.27 142.47 38.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.18 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.47 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 18.3 t70 -118.12 118.81 32.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG21 HG23 ' A' ' 31' ' ' THR . 70.6 mt -109.94 111.31 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.99 0.424 . . . . 0.0 111.642 -179.641 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 50' ' ' SER . 2.2 tm? -92.83 110.45 21.9 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.031 179.662 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.63 ' HB3' HG21 ' A' ' 31' ' ' THR . 6.9 p-10 -94.65 -172.09 2.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.624 -179.178 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.52 ' HB ' ' HB ' ' A' ' 46' ' ' THR . 92.4 m 63.63 101.85 0.03 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.14 -87.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 51.79 27.21 19.52 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.013 -179.611 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 63.0 mt -80.26 -1.06 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 111.053 -179.527 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -86.85 5.01 38.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -107.17 -42.03 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 74.4 m-85 -70.38 127.64 33.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.721 -179.958 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.71 99.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.251 -179.742 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.41 -7.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.352 179.871 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 26.5 mt -68.85 -19.41 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.009 -179.925 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.544 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 39.5 ptt180 -61.9 -31.52 71.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.27 -31.23 71.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.925 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -50.21 -36.88 32.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.8 179.77 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -46.83 74.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.086 -179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.403 ' HB3' HG21 ' A' ' 114' ' ' VAL . 24.4 m-85 -61.69 -30.85 71.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.6 -28.22 41.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.1 t -86.76 9.18 19.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -130.06 155.45 21.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.599 -179.937 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.8 -71.22 0.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.831 179.938 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.554 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -83.04 156.94 34.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.281 179.902 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -127.87 135.79 50.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.695 0.283 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.568 HD23 ' SD ' ' A' ' 19' ' ' MET . 24.7 tp -120.93 106.42 11.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.512 179.855 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD11 ' HB ' ' A' ' 104' ' ' THR . 10.4 tp -82.83 99.68 9.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.9 -179.605 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.654 HG23 HG13 ' A' ' 126' ' ' VAL . 12.6 p -110.91 132.96 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 -179.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.611 ' HA ' HG21 ' A' ' 25' ' ' VAL . 1.2 p90 -136.24 178.09 7.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 178.851 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.409 ' HA ' ' OD1' ' A' ' 128' ' ' ASN . 1.5 p -110.89 131.57 54.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.486 -179.574 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 39.2 pt -69.67 -29.5 41.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.249 179.109 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 58.2 p -70.33 -15.76 62.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.624 179.283 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.45 ' HB3' ' HG2' ' A' ' 99' ' ' GLU . 44.1 mt-10 -124.63 96.65 4.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -61.77 -16.01 46.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.756 179.707 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 97' ' ' GLU . 15.3 pt-20 -72.42 -26.38 61.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.659 -179.332 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.0 m -68.34 -53.49 23.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.65 -179.428 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -53.69 -35.46 61.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.962 0.411 . . . . 0.0 111.715 -179.68 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 74.8 p -72.02 -53.33 13.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.817 -179.182 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.435 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -63.44 -34.54 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.952 -179.779 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.595 ' HB ' HD11 ' A' ' 91' ' ' LEU . 12.3 p -58.81 -31.08 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 110.111 179.336 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.81 -33.21 75.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.635 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -65.02 -43.87 91.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.482 179.443 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.76 -27.34 68.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.105 179.826 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -53.09 -45.47 68.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 179.99 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -70.85 -34.77 71.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.672 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -64.04 -38.35 90.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.23 -179.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 98.9 mt -61.34 -40.23 85.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 -179.674 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -67.58 -30.66 70.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.481 -179.933 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -68.21 -49.63 59.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.267 -179.71 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 114' ' ' VAL . 3.3 m -66.73 -13.3 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.339 -179.881 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.06 41.95 3.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 -179.813 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.43 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.321 -179.94 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -71.36 -40.45 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.52 142.03 29.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 -179.822 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -95.78 -51.93 4.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.984 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 0.9 OUTLIER -78.81 96.25 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.992 -179.86 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 49.4 mm -94.96 109.05 42.07 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.806 179.887 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.554 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 56.4 Cg_endo -69.22 118.46 5.69 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.547 2.165 . . . . 0.0 112.885 -179.491 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mt -129.89 165.76 21.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.818 179.488 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 90' ' ' LEU . 29.2 tp -169.05 110.7 0.49 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.536 178.42 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.663 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.1 p -88.54 142.78 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.51 -178.804 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 92' ' ' VAL . 11.5 p -152.28 149.11 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.96 179.618 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.07 114.96 2.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.146 179.791 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 157' ' ' THR . 27.9 p-10 -79.42 -162.55 0.42 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.787 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.44 ' O ' HD11 ' A' ' 95' ' ' ILE . 73.1 mmtt 60.96 14.14 5.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.491 ' HA ' HH21 ' A' ' 136' ' ' ARG . 71.4 m -56.49 -15.14 3.75 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.427 -179.731 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -73.2 6.9 2.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 0.0 110.727 179.442 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.508 HD13 ' HD2' ' A' ' 135' ' ' ARG . 71.3 mt -128.71 77.94 1.81 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.893 179.833 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.507 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -73.15 -15.0 61.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.276 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.7 pt-20 -91.14 -10.6 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.086 -179.864 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.508 ' HD2' HD13 ' A' ' 132' ' ' LEU . 97.1 mtt180 -116.22 1.95 13.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.507 HH12 ' HG2' ' A' ' 133' ' ' GLU . 45.3 ttm105 -70.86 108.74 4.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.823 0.344 . . . . 0.0 110.267 179.508 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -93.65 -27.23 16.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.483 -179.313 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 87.2 t -94.84 109.18 42.52 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.453 -179.812 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.65 133.26 50.34 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.154 1.903 . . . . 0.0 111.455 179.153 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.0 p -53.79 -47.87 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.311 -179.68 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.418 ' N ' HG13 ' A' ' 140' ' ' VAL . 38.9 mt-10 -58.38 -48.3 81.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.66 0.267 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.42 -35.74 74.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.932 0.396 . . . . 0.0 110.307 179.606 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -67.35 -32.31 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.598 179.626 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 86.4 mtt180 -74.49 -37.73 63.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.864 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -60.6 -41.88 95.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.451 -179.419 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -48.35 20.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 111.0 -179.581 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.595 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -61.5 -30.44 70.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.807 -179.38 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.53 -32.01 72.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.788 -179.458 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -51.52 -46.11 63.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.506 179.381 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.2 m0 -68.22 -23.04 64.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 179.453 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 106.97 12.29 24.33 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 5.6 m -112.28 170.14 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.321 0.581 . . . . 0.0 112.335 -179.781 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -111.71 157.72 20.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.085 -0.961 . . . . 0.0 109.838 179.084 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.663 ' HD1' HG22 ' A' ' 125' ' ' VAL . 31.2 t80 -118.84 141.51 48.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.965 0.412 . . . . 0.0 111.486 -179.514 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.9 p -137.01 153.87 30.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.238 179.881 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -93.47 140.32 29.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.655 179.777 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.461 ' O ' ' HA ' ' A' ' 128' ' ' ASN . 77.5 p -145.25 163.76 33.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.081 0.467 . . . . 0.0 111.745 -179.614 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 36.5 p -141.27 110.28 6.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.595 179.572 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 165' ' ' VAL . . . -59.81 -21.15 60.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.496 -179.792 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.9 -55.65 13.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.401 -179.603 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 72.4 p -89.6 0.61 56.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.484 -179.482 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.583 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.0 ppt_? 33.62 41.41 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.549 0.531 . . . . 0.0 111.944 -179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.95 -56.22 4.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 112.193 -179.26 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.45 ' HB3' ' HG2' ' A' ' 167' ' ' LYS . 2.9 m-20 -111.84 19.6 17.81 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.241 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.486 ' O ' HG22 ' A' ' 168' ' ' VAL . 90.9 t -66.76 -49.82 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.731 0.3 . . . . 0.0 110.683 179.786 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -71.68 -14.3 62.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 179.601 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 168' ' ' VAL . 0.0 OUTLIER -61.23 -39.3 89.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.218 -179.418 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 165' ' ' VAL . 32.6 m -77.97 -26.23 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.63 -179.688 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -70.73 -45.54 64.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 110.629 179.789 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.03 -39.51 69.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.028 179.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -53.51 56.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.168 -179.903 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.6 tp -62.16 -35.81 79.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 -179.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 20.8 ttp -60.57 -41.25 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.737 -179.903 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -69.83 -34.61 73.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.791 179.541 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 13.5 mm-40 -62.34 -30.11 70.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.011 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.439 HD11 ' HA3' ' A' ' 88' ' ' GLY . 90.2 mt -71.87 -52.41 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 0.0 111.193 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -58.16 -37.12 74.08 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.962 -179.292 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 86.3 m -88.07 -58.87 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -178.646 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 82.0 tttt -69.79 -54.31 14.22 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -177.643 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 22.2 ttpp -58.27 -41.83 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.593 0.235 . . . . 0.0 111.608 -178.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 40.8 mtt -76.51 -15.23 59.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.667 0.27 . . . . 0.0 111.232 -179.688 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 47.1 t -67.52 -61.48 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.757 -179.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 60.37 126.75 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.694 179.917 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 16.1 m120 62.13 168.82 0.12 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.292 179.952 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.163 -0.923 . . . . 0.0 111.076 179.992 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 12' ' ' LEU . 4.4 mp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.41 172.81 7.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.16 179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.5 tp -139.33 102.83 4.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.704 179.893 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -104.38 152.33 22.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.261 -179.808 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -125.81 128.98 48.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.685 179.871 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.02 132.63 63.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.947 0.403 . . . . 0.0 111.353 179.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.456 HD11 ' HA3' ' A' ' 86' ' ' GLY . 20.7 mm -114.21 132.77 62.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.16 179.732 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.441 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 9.9 mmt -85.15 93.19 8.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.03 179.64 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 21' ' ' GLY . 7.5 p -101.88 160.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.587 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 162.96 -155.78 27.27 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.576 ' N ' HG22 ' A' ' 104' ' ' THR . 29.1 t -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -179.663 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.28 29.25 0.25 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.399 -179.855 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.52 80.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.617 179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -136.42 1.59 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.743 0.306 . . . . 0.0 111.291 179.91 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.91 44.7 1.01 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.688 179.966 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 32.3 mtmm -66.62 -56.82 8.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' A' ' 31' ' ' THR . 86.8 p -58.05 -29.59 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.847 179.45 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -62.97 -52.95 61.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.7 -179.432 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD11 HG11 ' A' ' 92' ' ' VAL . 2.8 mt -59.03 -25.44 63.7 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 178.22 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 28' ' ' SER . 30.5 m -69.96 -58.03 4.33 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.342 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.72 -31.09 57.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.6 -179.282 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.501 HE21 ' HB3' ' A' ' 162' ' ' ARG . 14.9 mm100 -67.59 -43.5 80.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.869 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -73.01 -25.36 60.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.769 0.318 . . . . 0.0 111.416 -179.985 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 31' ' ' THR . 95.9 mmm -81.73 -49.33 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.164 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -114.18 -6.23 13.03 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.178 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 17.1 m-20 58.78 34.47 23.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.78 -179.9 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -149.78 142.62 24.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 -179.648 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -90.3 105.68 17.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.665 179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.9 t -137.14 144.12 32.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.778 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -88.74 115.41 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.69 -60.58 1.3 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 77.1 t80 61.51 105.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.282 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.29 93.12 2.27 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.87 179.696 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.59 127.72 26.52 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.588 2.192 . . . . 0.0 112.53 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -81.21 162.96 23.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -113.31 -44.84 3.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.8 179.812 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.23 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -71.41 133.08 45.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.5 m -111.62 176.92 4.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -102.06 125.76 48.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.86 131.04 54.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.599 179.47 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -142.67 136.48 29.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.943 -179.642 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -95.59 120.25 35.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.024 -179.85 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.9 m -132.09 159.78 42.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 t -94.75 139.97 17.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.932 -179.994 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.3 tp -138.09 101.68 4.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.982 -179.804 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 57.19 31.26 19.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.889 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 99.03 -25.05 29.77 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.451 179.928 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -95.6 114.16 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 111.106 -179.894 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -77.77 116.53 18.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 179.757 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.2 m -120.7 142.79 35.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.271 -179.801 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -81.98 136.33 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.782 179.921 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.0 tt -111.51 135.84 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.061 179.98 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -118.81 113.58 21.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.48 HG21 HG23 ' A' ' 31' ' ' THR . 36.8 mt -115.12 134.06 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.217 -179.728 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.8 tp -136.19 137.4 40.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -89.61 114.67 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 66.2 p -87.8 -22.65 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.24 179.916 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.22 -166.87 0.15 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 179.77 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -62.21 91.74 0.07 OUTLIER Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.665 179.911 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 79' ' ' ARG . 65.9 mt -75.48 -13.77 60.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.678 0.275 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.03 83.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.991 -179.809 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -173.48 -41.34 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.784 180.0 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -75.74 158.81 31.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.98 -52.89 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.36 10.46 0.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.6 mt -77.12 -21.24 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.997 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' HB2' ' HB3' ' A' ' 72' ' ' LEU . 36.7 ptt180 -66.11 -27.03 67.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.67 -30.93 71.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.791 179.776 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -50.77 -40.86 56.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.305 -179.905 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -64.22 -43.24 95.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.071 -179.614 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.651 ' HB2' HG11 ' A' ' 114' ' ' VAL . 32.4 m-85 -65.28 -30.24 71.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.803 179.84 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -81.38 -21.92 38.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.807 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -85.6 6.37 27.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -132.84 172.77 21.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.47 179.977 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -118.02 -26.18 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.113 -179.891 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.621 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -114.01 158.88 14.01 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.425 -179.925 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -133.98 140.19 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.074 -179.707 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.536 ' HG ' HD22 ' A' ' 172' ' ' LEU . 10.5 mt -129.26 109.74 11.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.742 179.196 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.9 tp -82.13 126.3 31.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.993 179.811 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 30' ' ' LEU . 43.5 t -131.42 138.85 52.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.452 . . . . 0.0 112.17 -179.389 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 104' ' ' THR . 9.8 p90 -148.87 151.77 35.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.195 178.597 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB3' ' HG3' ' A' ' 129' ' ' LYS . 36.3 m -87.44 127.89 35.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 96' ' ' THR . 40.2 pt -60.95 -39.69 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.898 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 97' ' ' GLU . 6.0 t -71.37 -12.42 61.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.818 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 39.6 mt-10 -118.11 93.88 4.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.707 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -62.97 -16.21 58.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.207 -179.782 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.62 -26.26 63.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.033 0.444 . . . . 0.0 110.852 -179.338 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 104' ' ' THR . 17.6 m -74.45 -53.11 10.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.774 -178.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -48.85 -38.21 21.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 0.0 111.62 -179.313 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.75 -53.61 11.16 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.999 -179.595 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.85 -36.59 72.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.326 -179.414 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.617 ' HB ' HD11 ' A' ' 91' ' ' LEU . 43.3 p -58.56 -34.49 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.063 0.459 . . . . 0.0 110.772 179.757 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.7 -34.74 73.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.31 -179.674 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -64.27 -43.32 95.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.771 179.802 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -66.33 -25.85 67.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.225 -179.972 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -54.14 -44.84 71.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.523 179.927 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.01 -34.45 71.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.754 179.525 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.456 ' HA ' ' HD3' ' A' ' 113' ' ' ARG . 78.9 mt-30 -60.82 -30.05 69.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.38 -45.77 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 179.902 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 41.9 mt -67.94 -26.74 66.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.247 179.886 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 110' ' ' GLN . 70.5 mtp180 -64.75 -51.05 64.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.48 -179.767 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.651 HG11 ' HB2' ' A' ' 83' ' ' PHE . 1.4 m -62.44 -22.75 30.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.036 0.446 . . . . 0.0 110.574 179.674 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -114.33 51.14 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.075 179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.21 -40.37 16.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.092 -179.211 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.62 -46.57 80.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.255 179.816 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.35 121.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.141 179.256 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -148.8 -61.38 0.23 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.588 179.108 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.509 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 75.5 mmtt -146.42 92.8 2.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.572 179.139 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mm -95.21 104.08 14.11 Favored Pre-proline 0 N--CA 1.463 0.188 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.63 -178.79 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.621 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 98.4 Cg_endo -80.74 122.52 4.44 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.208 1.939 . . . . 0.0 111.684 179.209 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.0 tp -135.43 155.16 51.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.158 -179.492 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 35.8 tp -161.84 120.76 2.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.235 179.88 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.541 HG22 ' HD1' ' A' ' 154' ' ' TYR . 2.4 p -88.92 141.46 14.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.972 0.415 . . . . 0.0 111.136 -179.521 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.52 147.81 26.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.146 -179.499 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.16 128.72 8.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.876 179.568 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -101.92 -173.14 2.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.686 0.279 . . . . 0.0 110.324 -179.702 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.493 ' HG3' ' HB3' ' A' ' 94' ' ' SER . 11.6 mmmm 56.73 19.44 4.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.421 ' HA ' HH21 ' A' ' 136' ' ' ARG . 70.6 m -58.35 -16.31 14.03 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.327 -179.823 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -71.28 -0.52 10.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.151 0.501 . . . . 0.0 110.191 179.524 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.517 HD13 ' HD2' ' A' ' 135' ' ' ARG . 46.7 mt -121.22 69.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.446 ' HG2' HH12 ' A' ' 136' ' ' ARG . 41.3 mt-10 -64.64 -33.44 75.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.94 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.444 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 12.9 pt-20 -70.82 -17.06 62.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.517 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.2 mtt180 -106.4 -4.82 19.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.458 ' HG3' ' HB ' ' A' ' 95' ' ' ILE . 42.0 ttm180 -63.29 108.37 1.28 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.601 179.747 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -96.91 -21.6 17.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.374 -179.324 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 139' ' ' PRO . 79.9 t -101.83 98.52 9.98 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.057 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 138' ' ' VAL . 9.3 Cg_endo -52.54 153.17 14.54 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.358 2.039 . . . . 0.0 112.044 179.682 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.493 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 90.2 t -62.37 -54.25 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.477 -179.497 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.32 -44.18 71.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.791 -179.041 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 139' ' ' PRO . 38.8 tt0 -66.9 -35.66 80.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.985 -179.903 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 138' ' ' VAL . . . -73.97 -30.57 62.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 -179.97 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 60.7 mtt180 -78.26 -35.12 48.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.7 t -66.92 -51.34 56.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.234 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.03 -41.74 97.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -179.716 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -69.34 -36.97 77.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.48 -179.694 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.83 -32.5 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.806 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -51.4 -42.21 61.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.58 179.561 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -69.41 -27.15 65.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.59 179.618 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 110.02 32.91 2.71 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.816 179.613 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.1 170.05 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.07 0.462 . . . . 0.0 112.111 -179.715 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -112.47 135.05 53.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.663 178.888 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.541 ' HD1' HG22 ' A' ' 125' ' ' VAL . 40.8 t80 -98.61 143.29 29.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.185 0.517 . . . . 0.0 111.951 -179.055 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 1.5 t -141.02 152.07 20.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -89.51 143.78 26.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.5 p -150.64 153.41 35.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.989 0.423 . . . . 0.0 111.668 -179.427 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 53.0 m -124.0 109.82 14.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -68.46 -3.48 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.32 -179.818 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -93.84 -47.38 6.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 67.7 p -89.93 -3.87 57.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.026 179.941 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.501 ' HB3' HE21 ' A' ' 33' ' ' GLN . 7.4 ppt_? 36.45 36.42 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.048 179.864 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.13 -52.7 8.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.694 -179.469 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -111.65 16.32 20.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.646 -179.346 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 166' ' ' ASP . 8.0 p -66.64 -43.25 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.763 0.316 . . . . 0.0 110.946 179.79 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 165' ' ' VAL . 3.8 p30 -73.0 -15.19 61.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.307 -179.981 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -61.57 -45.78 92.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.373 -179.488 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 28.4 m -73.32 -26.69 22.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.602 -179.333 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -69.04 -46.37 68.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.849 0.357 . . . . 0.0 110.183 179.412 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -72.02 -30.55 65.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.066 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.34 -50.98 61.72 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.69 179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.536 HD22 ' HG ' ' A' ' 90' ' ' LEU . 31.2 tp -63.71 -33.75 76.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.641 179.668 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 51.8 ttm -54.36 -44.06 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.118 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -70.05 -34.75 73.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.681 179.358 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -58.89 -44.75 91.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.453 -179.706 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 67.6 mt -72.71 -54.8 14.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.713 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 181' ' ' MET . 0.0 OUTLIER -56.98 -30.38 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.929 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 75.6 m -87.94 -60.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -179.431 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.509 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 78.8 tttt -72.24 -55.12 7.74 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -178.36 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -57.23 -58.53 7.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.637 0.256 . . . . 0.0 111.668 -178.8 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.437 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.9 mmt -57.63 -18.28 19.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.775 -179.302 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.425 ' HB3' ' O ' ' A' ' 179' ' ' LYS . 36.8 t -65.71 -59.24 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.718 0.294 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.46 98.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.054 -179.842 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -110.82 120.22 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.928 179.847 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 18.9 pttm . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.482 -0.77 . . . . 0.0 111.075 -179.935 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.414 ' O3G' ' O1B' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.744 0.307 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.49 158.59 15.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.431 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.8 tp -130.02 109.13 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.568 179.881 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -103.91 133.05 49.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.759 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 66.9 mttm -116.22 103.98 11.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -95.56 129.92 45.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.188 179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.474 HD11 ' HA3' ' A' ' 86' ' ' GLY . 29.7 mm -95.94 108.86 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.831 179.816 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.618 ' HG3' ' HB2' ' A' ' 27' ' ' LYS . 2.8 tpt -66.95 97.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.703 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.54 HG13 ' HA ' ' A' ' 91' ' ' LEU . 13.4 p -113.45 160.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.465 ' HA2' HG22 ' A' ' 104' ' ' THR . . . 161.34 84.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.732 -179.805 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.505 ' N ' HG22 ' A' ' 104' ' ' THR . 28.3 t 61.1 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.887 0.375 . . . . 0.0 111.221 179.51 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.36 -36.45 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.69 58.89 0.69 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.268 179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG22 ' OG ' ' A' ' 100' ' ' SER . 53.7 t -106.93 -55.12 5.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 111.058 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.33 36.98 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.056 -179.895 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.69 ' H ' ' HD2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -50.59 -38.3 44.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.763 0.316 . . . . 0.0 111.367 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.416 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 96.4 p -68.44 -30.39 69.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.99 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.25 -52.33 65.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.99 -179.081 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.623 HD22 ' H ' ' A' ' 30' ' ' LEU . 2.3 mm? -62.51 -25.49 68.05 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.064 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 28' ' ' SER . 22.1 m -74.2 -37.89 63.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.968 -179.353 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 99.4 mt -70.91 -49.0 50.52 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.474 -179.237 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -55.86 -41.24 74.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.986 0.422 . . . . 0.0 111.095 -179.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -72.65 -25.1 61.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.377 179.78 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 tpp -81.52 -49.86 10.08 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.167 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -127.41 -10.47 5.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.561 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 t70 64.05 73.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.908 0.385 . . . . 0.0 110.769 -179.763 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -169.82 134.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.597 179.904 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -91.39 105.88 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.958 0.409 . . . . 0.0 111.112 -179.707 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.1 t -138.86 149.62 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.879 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -90.43 97.57 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.785 179.746 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -170.84 143.2 2.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -157.43 168.1 28.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -142.74 144.22 28.98 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.37 147.61 76.43 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.358 2.039 . . . . 0.0 112.295 179.789 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 68' ' ' ASP . 43.8 m -102.27 107.27 18.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -106.73 -56.0 2.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 179.865 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -157.44 -1.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.89 138.2 40.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.635 179.69 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.53 ' HB3' HD23 ' A' ' 67' ' ' LEU . 80.8 p -129.75 148.63 51.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 -179.751 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 70.2 m-85 -92.43 132.37 36.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.258 179.503 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 -134.85 135.44 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.118 0.485 . . . . 0.0 111.551 -179.655 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -157.25 172.25 18.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.029 179.52 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -128.55 143.2 50.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.149 0.499 . . . . 0.0 111.954 -179.62 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.5 m -145.55 137.2 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.41 179.635 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.96 129.67 35.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.957 0.408 . . . . 0.0 111.202 -179.73 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 40.6 tp -137.06 120.17 16.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.6 179.996 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.0 t70 55.87 30.67 16.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.626 -179.802 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.46 27.69 56.91 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.708 179.95 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -146.04 113.82 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.604 179.878 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -79.17 122.36 26.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.808 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 m -117.28 177.97 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.286 -179.82 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -119.01 123.0 43.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 13.9 tt -105.31 142.61 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.634 179.632 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 14.7 t70 -134.74 116.3 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 111.333 -179.663 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 47.4 mt -99.76 131.16 47.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.336 179.514 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.5 tm? -142.06 139.78 32.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.439 -178.677 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.613 ' N ' HD13 ' A' ' 67' ' ' LEU . 28.2 t70 80.35 105.64 0.07 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.547 179.441 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 76.2 p -143.89 167.24 22.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.324 179.574 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.562 ' H ' ' HD3' ' A' ' 27' ' ' LYS . . . 61.92 172.02 0.12 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.011 0.434 . . . . 0.0 111.554 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.49 132.97 35.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.972 179.487 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.6 mp -73.11 -31.53 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.479 0.181 . . . . 0.0 111.087 -179.532 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 63.46 115.33 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 59.09 95.74 0.03 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 -179.388 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -153.36 105.83 2.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.411 -179.398 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.2 -29.39 54.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.551 179.297 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -172.16 17.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.3 mt -66.98 -21.0 27.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.312 -179.734 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 56.5 mtm180 -60.56 -46.06 91.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.263 -179.711 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -53.94 -34.07 58.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.722 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.28 -46.76 88.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.467 -179.788 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -65.07 -44.7 88.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.627 -179.503 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -70.27 -17.05 63.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.986 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -84.09 -17.99 38.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.2 m -102.86 11.39 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.474 ' HA3' HD11 ' A' ' 18' ' ' ILE . . . -120.18 175.14 15.85 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.518 -179.95 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -115.9 -60.94 1.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.556 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -93.58 166.54 27.96 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.54 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -137.89 132.76 32.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.739 0.304 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.465 HD11 HG23 ' A' ' 168' ' ' VAL . 1.2 tt -123.48 97.01 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.481 179.817 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.668 HD11 ' HB ' ' A' ' 104' ' ' THR . 3.3 tm? -83.22 128.96 34.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.657 -179.619 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.81 138.52 44.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.822 0.344 . . . . 0.0 111.831 -179.668 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.508 ' HB3' HG21 ' A' ' 104' ' ' THR . 30.5 p90 -144.91 146.84 32.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.445 178.866 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.7 m -90.59 135.02 33.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.845 0.355 . . . . 0.0 111.156 -179.683 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HB ' ' HG3' ' A' ' 136' ' ' ARG . 34.5 pt -64.38 -29.75 48.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.952 179.679 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.472 HG21 HD12 ' A' ' 132' ' ' LEU . 35.4 p -73.08 -31.14 64.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.619 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -99.02 98.3 9.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.635 179.856 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.35 -21.76 65.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.036 -179.811 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -73.79 -26.42 60.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.488 ' OG ' HG22 ' A' ' 25' ' ' VAL . 31.5 m -67.63 -54.73 17.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.539 -178.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -59.53 -36.07 75.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.569 -179.449 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.0 p -71.7 -53.39 13.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.698 -179.01 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.46 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.034 -179.854 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.668 ' HB ' HD11 ' A' ' 91' ' ' LEU . 16.0 p -56.96 -35.97 69.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.636 179.477 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.58 -31.97 72.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.077 -179.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.27 -47.93 63.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.696 179.81 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.414 ' O ' HG13 ' A' ' 111' ' ' ILE . 12.5 m-85 -58.9 -24.61 62.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.774 179.626 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -52.52 -48.3 66.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.76 -36.3 73.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.634 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.452 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 55.8 mt-30 -61.26 -34.11 74.63 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.739 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 107' ' ' PHE . 96.0 mt -62.58 -42.14 94.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.468 -179.696 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.4 mt -68.22 -26.67 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 33.6 mmt180 -52.5 -51.19 60.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.337 . . . . 0.0 111.875 -179.169 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 115' ' ' LYS . 6.7 m -66.56 -40.44 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.655 -179.43 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -96.96 32.22 2.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.865 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.36 -18.19 48.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -97.04 -32.03 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.23 -179.839 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -84.26 137.61 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.997 -179.794 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -83.05 -60.57 2.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.167 -179.866 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -67.01 120.18 13.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.941 -179.906 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 32.5 mm -123.16 104.23 35.34 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.401 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.625 ' HG3' ' HD2' ' A' ' 180' ' ' LYS . 33.6 Cg_endo -64.8 104.42 0.56 Allowed 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.354 2.036 . . . . 0.0 111.719 179.361 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 53.3 tp -133.38 154.39 50.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.984 0.421 . . . . 0.0 111.272 -179.551 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.549 ' HB2' HD13 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -160.61 123.78 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.54 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.743 HG11 ' HB1' ' A' ' 147' ' ' ALA . 7.3 p -102.26 143.43 14.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.058 0.456 . . . . 0.0 111.5 -179.654 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 168' ' ' VAL . 12.0 t -140.2 152.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.689 179.765 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -109.82 133.52 11.66 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.231 179.859 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -104.54 175.61 5.43 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.938 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.422 ' HG3' HD12 ' A' ' 132' ' ' LEU . 0.1 OUTLIER 54.69 26.28 7.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.561 -179.842 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -69.21 -1.99 9.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.583 -179.623 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.97 19.39 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.545 HD13 ' HD3' ' A' ' 135' ' ' ARG . 55.3 mt -139.17 87.78 2.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 -179.904 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.63 -34.98 67.69 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.216 179.924 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.451 ' HG3' ' HG3' ' A' ' 135' ' ' ARG . 11.5 pt-20 -78.22 -40.81 36.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.361 -179.582 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.545 ' HD3' HD13 ' A' ' 132' ' ' LEU . 78.7 mtp180 -81.76 7.44 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.846 -179.847 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.483 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 39.9 ttm180 -69.34 116.76 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -86.82 -33.99 19.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.419 179.704 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 83.6 t -114.15 114.66 45.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.752 179.572 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 136' ' ' ARG . 78.2 Cg_exo -50.64 125.0 14.53 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.17 1.913 . . . . 0.0 111.789 179.652 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.8 p -49.45 -40.61 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.243 -179.528 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -66.67 -42.33 86.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.792 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.14 -41.34 88.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.927 0.394 . . . . 0.0 110.914 -179.896 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 98.0 mtt180 -66.28 -41.19 90.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.399 -179.645 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.3 t -65.73 -47.95 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.772 -179.266 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.44 -47.41 82.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.216 -179.419 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.743 ' HB1' HG11 ' A' ' 125' ' ' VAL . . . -65.16 -37.06 86.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.392 -179.611 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.97 -32.1 63.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -52.01 -48.32 64.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.749 179.641 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -58.88 -27.61 65.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.98 179.614 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 108.06 20.05 8.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.132 -179.932 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 16.5 m -121.13 164.18 18.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 111.67 -179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -103.26 128.17 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.726 178.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.493 ' HD1' HG22 ' A' ' 125' ' ' VAL . 32.5 t80 -96.52 124.18 40.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 0.0 111.415 -179.212 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.31 155.15 25.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.324 -179.608 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.66 147.25 23.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.526 -179.713 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 26.7 p -149.83 173.26 13.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.98 179.764 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.426 ' HB2' ' OG1' ' A' ' 161' ' ' THR . 67.9 m -139.72 110.97 6.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.534 179.537 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.9 -3.68 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.434 -179.646 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -99.48 -46.54 5.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 158' ' ' SER . 30.3 p -85.25 -9.65 57.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.878 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 7.5 ppt_? 35.01 39.98 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.67 0.606 . . . . 0.0 112.022 179.99 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.62 -55.48 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.788 -179.611 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -111.78 16.27 20.55 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.532 -179.455 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.56 ' O ' HG22 ' A' ' 168' ' ' VAL . 7.3 p -63.32 -39.26 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 179.74 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.31 -23.98 60.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.047 0.451 . . . . 0.0 110.788 179.55 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -63.37 -30.74 71.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.799 -179.303 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.606 HG11 HG11 ' A' ' 126' ' ' VAL . 3.0 m -73.15 -32.26 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.745 0.307 . . . . 0.0 111.298 -179.201 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -74.38 -41.6 60.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.46 179.654 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -72.04 -35.57 69.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.398 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.455 ' HA ' HH21 ' A' ' 174' ' ' ARG . 10.8 t70 -64.71 -44.76 89.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.761 0.315 . . . . 0.0 110.706 -179.724 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 124' ' ' LEU . 62.3 tp -72.84 -33.83 66.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.602 179.601 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . 0.438 ' HA ' HD12 ' A' ' 176' ' ' ILE . 47.7 ttm -56.51 -44.12 80.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.455 HH21 ' HA ' ' A' ' 171' ' ' ASP . 81.8 mtm180 -66.46 -34.89 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 179.819 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -69.22 -33.39 73.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 40.8 mt -70.6 -45.06 75.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.519 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 181' ' ' MET . 14.2 ptm180 -74.88 -33.13 62.02 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.91 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 73.1 m -89.28 -59.71 2.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -179.119 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -70.3 -54.48 12.45 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 -177.378 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.625 ' HD2' ' HG3' ' A' ' 122' ' ' PRO . 61.5 tttm -62.4 -33.69 75.27 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.504 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 40.0 mtt -81.59 -12.62 58.68 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 -179.498 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 53.6 p -67.94 -59.57 3.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.683 0.278 . . . . 0.0 110.759 -179.916 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 53.22 88.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.92 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -72.88 -33.97 66.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 179.957 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.401 ' O1B' ' O3G' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 64.7 mt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.78 0.324 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.45 137.44 33.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 -179.931 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.4 tp -111.77 102.55 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -104.98 136.66 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 95.3 mttt -115.0 122.13 45.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -179.682 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.2 p -112.84 133.73 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.839 179.732 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.1 mm -112.57 130.11 66.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.753 0.311 . . . . 0.0 111.401 -179.792 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 95.8 mmm -78.85 90.57 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.516 179.253 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG13 ' HA ' ' A' ' 91' ' ' LEU . 7.2 p -94.8 156.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.657 179.799 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -177.68 -162.81 28.42 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -60.64 -51.39 69.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.787 180.0 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.65 31.3 0.24 Allowed Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.255 -179.886 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.75 57.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.55 -179.834 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.61 -16.21 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 0.0 111.061 179.783 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 113.04 43.21 0.87 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.413 -179.977 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 79.6 mttt -56.36 -30.54 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 31' ' ' THR . 76.1 p -75.23 -28.98 60.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.064 179.885 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -52.07 67.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.037 -178.768 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 30' ' ' LEU . 1.7 mm? -61.24 -25.35 67.01 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 178.339 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' ' 28' ' ' SER . 24.2 m -72.67 -42.21 64.54 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.636 -179.405 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.2 mt -71.28 -30.09 65.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.28 -179.814 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' ASP . 13.2 mm100 -76.56 -38.02 55.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.349 -179.496 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -72.76 -41.78 64.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.755 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.432 ' HE2' ' HB3' ' A' ' 35' ' ' MET . 71.4 mtp -81.75 -49.55 10.29 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -178.071 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -103.42 -20.34 14.1 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 -178.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.459 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 13.8 t70 58.88 43.04 18.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.178 0.513 . . . . 0.0 110.053 -179.472 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -150.5 127.72 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 -179.398 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.07 106.02 12.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.621 179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.79 141.41 20.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.24 101.64 9.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.711 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -141.61 136.72 31.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.949 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -140.86 142.04 34.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.789 179.882 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 10.8 pt-20 -148.35 148.02 27.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' GLU . 37.4 Cg_exo -60.1 145.35 98.64 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.565 2.177 . . . . 0.0 112.002 179.782 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.3 m -131.23 100.5 5.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -85.27 -58.46 2.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.949 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -158.08 4.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.99 130.96 36.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.036 -179.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 72.8 p -113.19 171.82 7.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.719 179.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -103.46 149.77 24.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.863 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -141.4 131.54 24.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' HG22 ' A' ' 64' ' ' ILE . 20.0 ptmt -157.36 151.92 25.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.126 179.906 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HD2' ' HG2' ' A' ' 63' ' ' GLN . 30.9 mmtm -105.03 135.61 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.374 . . . . 0.0 111.183 -179.572 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -137.7 147.95 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.89 140.02 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.7 tp -141.79 103.36 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.734 179.976 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 55.73 31.26 17.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.669 -179.739 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.3 -29.32 11.59 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.411 -179.959 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -95.38 120.92 36.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.702 0.287 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -92.28 121.03 33.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.855 179.82 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -118.46 152.2 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.892 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.609 ' HG2' ' HD2' ' A' ' 54' ' ' LYS . 14.0 mt-30 -81.05 130.31 34.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 53' ' ' LYS . 14.8 tt -116.77 145.5 22.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 -179.861 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.651 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 12.6 t70 -133.01 127.29 33.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.797 -179.994 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.06 142.18 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -135.42 119.27 17.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -148.14 150.29 33.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.9 m -142.08 -74.37 0.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.186 179.95 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -168.83 -171.07 1.28 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.42 110.04 2.3 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.936 179.449 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.555 HD22 ' HA ' ' A' ' 79' ' ' ARG . 57.0 mt -79.67 30.79 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 111.319 -179.509 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -95.62 24.38 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.93 179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -118.93 -47.29 2.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.129 -179.993 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -64.63 148.51 50.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.963 -179.895 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.59 -53.85 7.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.22 -179.819 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.11 -13.35 2.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.918 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.423 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 56.1 mt -63.3 -21.36 28.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.555 ' HA ' HD22 ' A' ' 72' ' ' LEU . 33.5 ptt180 -64.54 -42.17 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.825 179.702 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 9.8 m-20 -61.25 -30.81 70.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.431 . . . . 0.0 110.279 179.552 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.0 m-20 -53.05 -34.69 57.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -74.43 -47.79 31.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.539 -179.515 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.1 m-85 -63.35 -26.02 68.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.767 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -82.31 -10.86 58.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.111 -179.581 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.6 m -90.17 4.9 49.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -128.46 159.03 21.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.78 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -111.75 169.63 13.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.278 179.76 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.466 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 65.5 m-85 -133.85 146.5 50.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.919 0.39 . . . . 0.0 111.187 -179.779 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 168' ' ' VAL . 0.8 OUTLIER -131.07 101.68 5.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.663 179.775 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.574 HD11 ' HB ' ' A' ' 104' ' ' THR . 12.1 tp -82.25 131.77 35.23 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.713 0.292 . . . . 0.0 110.753 -179.537 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 45.5 t -138.1 136.2 44.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -179.89 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' HB3' HG21 ' A' ' 104' ' ' THR . 19.5 p90 -140.13 147.88 40.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.23 178.564 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.1 m -88.78 129.99 35.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.185 -179.675 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.479 HD13 ' HE ' ' A' ' 136' ' ' ARG . 3.2 pt -65.89 -30.12 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.02 0.438 . . . . 0.0 110.098 179.414 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.506 HG21 ' HE2' ' A' ' 129' ' ' LYS . 62.9 p -68.96 -17.14 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.477 179.342 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -124.69 98.12 5.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.736 179.756 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -62.78 -16.19 56.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.1 -179.871 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -73.18 -25.78 60.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.508 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.0 m -68.54 -52.37 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.384 -179.348 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -52.57 -36.04 55.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.768 -179.787 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.8 p -72.15 -53.67 12.03 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.835 -178.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.13 96.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.901 0.382 . . . . 0.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB3' ' A' ' 93' ' ' PHE . 17.8 p -54.38 -33.26 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.738 179.271 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 108' ' ' ARG . . . -68.47 -32.35 72.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.49 -38.18 86.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.795 179.694 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -58.21 -23.29 55.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.714 179.922 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.518 ' NH1' ' HB3' ' A' ' 150' ' ' TRP . 0.9 OUTLIER -47.26 -49.53 23.31 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 113' ' ' ARG . 42.6 mt-10 -68.12 -40.56 82.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.67 179.719 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -59.32 -26.76 65.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.4 ' CG2' HG21 ' A' ' 121' ' ' ILE . 80.8 mt -70.45 -43.98 77.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.969 179.918 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.74 -26.18 66.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.779 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.8 mmp_? -56.66 -50.51 71.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.071 -179.889 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.458 HG23 ' HG2' ' A' ' 115' ' ' LYS . 4.6 m -70.06 -11.61 15.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.233 -179.877 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.458 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.9 mmtt -126.78 67.81 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.72 179.776 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.41 -20.33 37.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.11 -55.69 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.617 179.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' HG2' ' HE3' ' A' ' 180' ' ' LYS . 9.4 tp10 -67.73 133.75 49.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.546 179.739 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -97.1 -14.38 21.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.937 -179.817 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 120' ' ' LYS . 13.3 mptt -109.07 96.47 6.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 -179.809 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.4 HG21 ' CG2' ' A' ' 111' ' ' ILE . 4.1 mp -108.07 105.27 56.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.659 179.469 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.444 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 27.2 Cg_endo -62.87 130.79 30.48 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.383 2.055 . . . . 0.0 112.341 179.988 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 59.8 tp -139.31 161.38 37.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.069 -179.949 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 50.0 tp -162.55 124.02 2.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.167 179.437 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.546 HG22 ' HD1' ' A' ' 154' ' ' TYR . 3.4 p -98.68 141.91 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.047 0.451 . . . . 0.0 111.756 -179.276 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 168' ' ' VAL . 7.4 t -143.32 157.15 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.441 179.617 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.97 127.9 5.88 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.317 179.935 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -94.37 -171.81 2.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.506 ' HE2' HG21 ' A' ' 96' ' ' THR . 11.2 mmmm 60.08 15.46 5.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 45.8 t -61.13 -13.34 16.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.205 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -67.15 -3.13 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.707 179.851 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.533 HD13 ' HD2' ' A' ' 135' ' ' ARG . 44.5 mt -120.4 85.87 2.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.85 -27.94 63.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.942 -179.86 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -79.62 -34.23 40.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.533 ' HD2' HD13 ' A' ' 132' ' ' LEU . 99.6 mtt180 -89.82 -2.28 58.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.384 -179.803 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.479 ' HE ' HD13 ' A' ' 95' ' ' ILE . 46.3 ttm180 -67.8 108.23 2.9 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.824 0.345 . . . . 0.0 110.16 179.535 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.413 ' O ' ' HD3' ' A' ' 139' ' ' PRO . 29.5 mm-40 -87.58 -27.79 22.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.549 -179.186 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.4 t -96.75 106.97 33.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.248 -179.897 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 137' ' ' GLN . 36.7 Cg_exo -58.08 125.04 17.35 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.078 1.852 . . . . 0.0 111.218 179.091 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.561 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 7.1 p -46.21 -43.25 5.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.545 -179.408 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -58.77 -48.92 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.167 -179.705 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -58.6 -36.83 74.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.015 -179.925 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.39 68.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.495 -179.544 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 83.9 mtt180 -65.82 -44.01 86.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.57 -179.564 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.9 t -59.98 -53.45 57.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.471 -179.366 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.76 -46.59 88.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.043 -179.717 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 125' ' ' VAL . . . -57.29 -47.96 80.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.472 -179.954 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -50.67 -31.65 16.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.521 -179.617 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -53.9 -48.41 70.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.679 0.276 . . . . 0.0 111.221 179.963 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.518 ' HB3' ' NH1' ' A' ' 108' ' ' ARG . 8.4 m0 -69.18 -7.75 39.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.816 0.341 . . . . 0.0 111.046 179.768 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 88.89 27.36 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.003 -179.714 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 33.5 m -127.65 168.1 21.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.135 0.493 . . . . 0.0 111.377 -179.606 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -113.91 131.38 56.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.746 178.888 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.546 ' HD1' HG22 ' A' ' 125' ' ' VAL . 41.1 t80 -94.58 137.47 33.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.957 0.408 . . . . 0.0 111.015 -179.527 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 9.4 p -130.51 152.62 37.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.714 -179.444 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -89.86 137.25 32.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.381 179.611 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.518 HG22 ' HB2' ' A' ' 164' ' ' ASN . 64.6 p -146.78 157.31 43.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.086 0.47 . . . . 0.0 112.034 -179.334 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 55.4 m -129.11 110.93 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.43 179.371 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.65 -5.3 3.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.589 -179.937 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -94.5 -37.06 11.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.901 179.87 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 34.8 p -95.53 -6.19 41.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.38 -179.672 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.426 ' HB3' HE21 ' A' ' 33' ' ' GLN . 6.7 ppt_? 35.42 38.47 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.572 0.545 . . . . 0.0 111.626 -179.81 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.47 -55.65 5.2 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.082 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.518 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.2 m-20 -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -179.139 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.635 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.7 p -56.49 -39.05 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 179.903 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.82 -34.94 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.959 0.409 . . . . 0.0 110.948 179.543 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -56.49 -30.66 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.949 -179.083 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 126' ' ' VAL . 2.8 m -73.05 -31.66 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.721 0.296 . . . . 0.0 111.391 -179.375 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.56 -41.45 60.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.412 179.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -71.92 -40.82 68.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.045 179.687 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.07 -45.4 90.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.806 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 47.3 tp -71.24 -32.58 68.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.668 179.788 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 44.8 ttm -57.5 -41.01 79.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.133 -179.773 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.66 -35.46 80.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.55 -32.24 72.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.757 179.869 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.589 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 63.6 mt -72.5 -32.81 43.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 180.0 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -75.54 -42.3 52.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.9 0.381 . . . . 0.0 111.569 -179.831 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 93.0 m -87.11 -59.33 2.29 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -178.324 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -70.44 -54.97 10.17 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -177.276 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.589 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 23.5 tptm -58.42 -37.2 74.87 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.583 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.85 -15.42 54.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.7 0.286 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 35.0 t -64.21 -60.81 2.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 57.85 16.54 3.67 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.29 179.848 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -146.67 -56.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.691 179.955 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.836 179.829 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . 0.42 H5'1 ' H8 ' ' A' ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.85 164.11 14.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 179.975 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.3 tp -135.98 110.28 8.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.875 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -106.6 129.96 54.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 65' ' ' ASP . 63.2 mttm -107.43 123.17 48.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.265 -179.653 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.8 130.79 63.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.602 179.485 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.3 mm -107.6 112.13 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.477 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.564 ' HB3' ' HD3' ' A' ' 27' ' ' LYS . 5.6 mmt -62.26 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.495 179.363 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 21' ' ' GLY . 11.7 p -99.39 157.99 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.719 179.939 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' N ' HG22 ' A' ' 20' ' ' VAL . . . -178.23 -162.32 27.81 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 -179.651 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.476 ' HB2' ' HB3' ' A' ' 103' ' ' ALA . 78.2 p -64.57 -33.09 75.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 -179.732 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.3 21.79 4.32 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.258 -179.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.12 69.97 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.311 -179.985 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.499 HG21 ' HA ' ' A' ' 93' ' ' PHE . 78.5 t -127.76 -77.51 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.658 0.266 . . . . 0.0 111.162 -179.728 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 167.23 39.6 0.02 OUTLIER Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.639 179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.564 ' HD3' ' HB3' ' A' ' 19' ' ' MET . 7.2 ptpp? -69.46 -35.56 75.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.908 179.838 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 31' ' ' THR . 97.6 p -57.58 -30.75 65.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.296 179.858 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -67.37 -54.11 23.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.091 -178.955 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 30' ' ' LEU . 3.5 mm? -60.1 -24.76 64.9 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.645 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' ' 28' ' ' SER . 65.3 m -64.56 -47.32 79.18 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 179.73 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.89 -36.87 72.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.368 -179.687 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 11.5 mm100 -56.43 -36.64 69.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.962 0.41 . . . . 0.0 110.595 -179.929 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -72.77 -25.13 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 179.86 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 tpp -81.67 -49.7 10.17 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -178.299 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -115.67 -6.87 12.17 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' GLN . 8.0 m-20 58.15 38.88 26.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.067 0.46 . . . . 0.0 110.527 -179.688 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' C ' HE22 ' A' ' 33' ' ' GLN . 44.1 tt0 -149.86 135.31 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.548 -179.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' H ' HH11 ' A' ' 162' ' ' ARG . 60.3 t80 -85.43 118.98 25.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 -179.444 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.493 HG12 ' H ' ' A' ' 42' ' ' ASP . 22.6 t -132.04 142.48 42.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.25 -38.77 92.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.3 m-20 -57.4 121.38 10.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -109.0 166.75 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.802 -179.981 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 45' ' ' PRO . 45.2 mt-10 -134.21 102.76 11.81 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 44' ' ' GLU . 35.3 Cg_endo -64.95 157.99 53.89 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.29 1.993 . . . . 0.0 112.268 179.951 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 68' ' ' ASP . 87.4 m -95.11 138.38 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.3 -179.876 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -142.99 -44.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -170.89 -19.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.021 179.899 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -77.17 132.28 38.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.1 p -110.97 164.12 13.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . 54.9 m-85 -104.06 145.58 29.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.654 -180.0 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -147.91 146.38 29.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -165.85 142.54 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.497 -179.778 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.38 121.96 28.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 111.296 -179.689 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.6 m -137.54 143.41 34.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.875 179.596 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.628 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 7.3 p -90.24 139.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.016 179.942 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD23 HH11 ' A' ' 177' ' ' ARG . 55.3 tp -143.87 120.79 11.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.752 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 56.88 30.99 18.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.02 -31.7 6.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.913 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -92.84 123.27 35.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 0.0 111.069 -180.0 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HA ' ' HA ' ' A' ' 56' ' ' VAL . 39.8 tt0 -80.7 112.55 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.139 -179.699 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.39 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.085 179.817 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -87.6 141.05 28.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.022 -179.723 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.0 tt -111.59 142.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.652 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.575 ' HB3' ' HG2' ' A' ' 16' ' ' LYS . 23.3 t70 -123.55 118.22 26.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.974 -179.837 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 60.3 mt -105.11 120.3 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 -179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.59 HD13 ' N ' ' A' ' 68' ' ' ASP . 2.7 tm? -132.73 138.05 47.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.536 -179.673 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.59 ' N ' HD13 ' A' ' 67' ' ' LEU . 18.2 t70 65.17 98.82 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' MET . 75.3 p -132.14 37.32 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 -179.695 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -151.36 162.26 41.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 179.827 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.2 127.67 45.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -89.67 -74.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.665 0.269 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 54.95 -166.86 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.006 -179.925 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 62.87 -79.08 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 179.764 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.492 ' HB3' ' HB ' ' A' ' 78' ' ' ILE . 73.7 m-85 -52.04 135.13 31.63 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.05 -38.04 53.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.801 -179.433 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -134.48 -28.73 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.806 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 75' ' ' TYR . 62.8 mt -57.05 -29.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.71 0.29 . . . . 0.0 111.165 -179.798 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.46 ' NH2' HE22 ' A' ' 110' ' ' GLN . 23.9 ptt180 -69.67 -35.83 75.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 110.439 179.779 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 79' ' ' ARG . 11.3 m-20 -69.45 -31.09 69.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 179.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -50.46 -34.82 26.24 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.158 179.657 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -60.15 -42.43 94.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.027 179.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' HB3' ' HE2' ' A' ' 89' ' ' PHE . 22.0 m-85 -63.23 -39.22 93.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' HB2' ' HB ' ' A' ' 114' ' ' VAL . 36.7 ttm180 -68.94 -15.94 63.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -179.656 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.7 t -81.28 -18.52 45.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.396 -179.558 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -107.76 157.3 15.48 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.776 -179.813 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.445 ' HB3' ' HE2' ' A' ' 180' ' ' LYS . 10.8 mm-40 -96.81 -13.48 22.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 110.651 179.944 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 122' ' ' PRO . . . -127.69 158.34 21.27 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.097 179.751 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' ' 83' ' ' PHE . 34.7 m-85 -135.46 131.97 36.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.759 0.314 . . . . 0.0 110.894 -179.731 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 92' ' ' VAL . 0.4 OUTLIER -122.02 106.82 11.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.784 179.758 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.621 HD11 ' HB ' ' A' ' 104' ' ' THR . 9.0 tp -82.76 118.84 23.66 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.564 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.528 HG22 HD22 ' A' ' 90' ' ' LEU . 3.3 t -126.5 131.03 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.358 . . . . 0.0 111.707 -178.855 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.522 ' HB3' HG21 ' A' ' 104' ' ' THR . 6.5 p90 -139.93 -176.81 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.715 179.019 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.417 ' OG ' ' HG3' ' A' ' 129' ' ' LYS . 15.6 t -124.02 141.57 51.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 136' ' ' ARG . 18.5 pt -71.52 -34.4 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.938 179.726 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.408 ' N ' HG13 ' A' ' 95' ' ' ILE . 58.7 p -65.9 -27.88 68.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -108.38 98.7 8.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.556 179.735 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -63.2 -17.74 62.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.268 -179.838 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.32 -26.97 60.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.003 0.43 . . . . 0.0 110.909 -179.499 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m -68.38 -54.05 19.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.445 -179.14 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -55.71 -39.96 71.76 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.735 -179.52 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.3 p -72.71 -53.78 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.319 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' SER . . . -59.82 -35.87 75.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.139 -179.455 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.621 ' HB ' HD11 ' A' ' 91' ' ' LEU . 6.9 p -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 179.375 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.4 -33.47 76.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.15 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.752 179.782 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 111' ' ' ILE . 35.1 m-85 -62.14 -26.72 68.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.68 -179.832 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 150' ' ' TRP . 4.4 tmt_? -51.33 -48.74 62.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.053 -179.74 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -70.74 -29.08 65.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.46 HE22 ' NH2' ' A' ' 79' ' ' ARG . 85.8 mt-30 -70.84 -26.68 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.457 -179.579 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 107' ' ' PHE . 93.5 mt -67.18 -41.78 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.297 -179.827 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.9 mt -67.94 -27.31 66.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.419 -179.953 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 113' ' ' ARG . 4.4 mmp_? -62.88 -50.18 71.91 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.456 ' HB ' ' HB2' ' A' ' 84' ' ' ARG . 4.3 m -70.23 -11.29 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.248 179.922 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 114' ' ' VAL . 75.5 mmtt -124.88 37.62 4.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.48 -15.69 58.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.39 -179.969 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.7 -26.11 21.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -100.22 144.47 29.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.932 179.98 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -92.69 -52.93 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -79.22 118.19 20.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.337 -179.696 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 50.8 mm -122.02 106.17 36.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.852 179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.446 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 42.6 Cg_endo -66.6 117.88 5.09 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.419 2.08 . . . . 0.0 112.455 -179.884 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.582 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 15.9 tp -129.27 160.96 31.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.582 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 20.8 tp -163.36 113.52 1.35 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.203 179.26 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.67 HG22 ' HD1' ' A' ' 154' ' ' TYR . 1.4 p -88.61 139.71 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.354 -179.439 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.32 153.93 29.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.187 -179.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -131.72 110.71 0.99 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.496 179.909 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -81.98 -167.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.573 -179.962 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.441 ' O ' HD11 ' A' ' 95' ' ' ILE . 68.6 mmtt 58.55 15.57 3.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.344 -179.93 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.469 ' HA ' HH21 ' A' ' 136' ' ' ARG . 66.9 m -59.61 -17.84 36.49 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.122 -179.679 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.56 -13.12 18.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.037 0.446 . . . . 0.0 110.399 179.527 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 135' ' ' ARG . 41.4 mt -113.23 76.25 0.97 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.498 179.784 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.79 -25.53 64.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.198 -179.538 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -84.76 -12.92 52.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.103 -179.786 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 132' ' ' LEU . 65.2 mtp180 -109.0 2.47 21.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.899 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.469 HH21 ' HA ' ' A' ' 130' ' ' SER . 40.7 ttm105 -66.86 109.94 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.938 0.399 . . . . 0.0 110.997 -179.789 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 70.5 mm-40 -82.05 -27.99 32.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.107 -179.833 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 75.5 t -98.18 109.95 54.12 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.154 179.95 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -56.73 147.26 72.78 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.264 1.976 . . . . 0.0 111.765 179.647 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 95.1 t -58.67 -54.94 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.506 -179.703 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.89 -33.57 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -179.111 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -70.18 -45.41 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 179.927 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.12 64.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.319 -179.638 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 85.6 mtt180 -71.49 -51.61 22.76 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.674 179.956 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.3 t -62.9 -29.34 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.047 0.451 . . . . 0.0 110.243 179.612 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.506 ' O ' ' HD2' ' A' ' 146' ' ' LYS . 0.4 OUTLIER -64.53 -48.9 73.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.225 179.548 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' ' 152' ' ' VAL . . . -52.48 -50.87 61.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.399 -179.112 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -51.13 -31.61 20.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.762 -179.525 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 146' ' ' LYS . 46.7 mt-10 -52.37 -48.97 65.28 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.762 0.315 . . . . 0.0 111.284 179.621 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . 0.451 ' CZ3' ' HE3' ' A' ' 146' ' ' LYS . 12.6 m0 -83.97 5.56 25.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 82.91 20.54 61.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.599 179.72 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.444 HG23 ' HB1' ' A' ' 147' ' ' ALA . 21.8 m -121.26 -179.37 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.171 0.51 . . . . 0.0 111.627 -179.895 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -125.04 134.71 52.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.628 179.153 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.67 ' HD1' HG22 ' A' ' 125' ' ' VAL . 24.6 t80 -95.66 143.25 27.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.06 0.457 . . . . 0.0 111.794 -179.411 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . . . . . . . . . 56.5 t -134.34 148.49 29.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.037 179.722 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -89.51 141.41 28.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.191 179.403 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 60.4 p -144.23 153.11 41.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.905 -179.158 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.8 m -125.85 108.74 11.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.379 179.402 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.7 -19.77 64.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.324 -179.694 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -76.49 -31.32 57.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . . . . . . . . . 48.4 p -95.98 -23.17 16.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.876 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.636 HH11 ' H ' ' A' ' 39' ' ' PHE . 13.8 mtm180 54.67 32.12 16.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.527 179.958 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -78.46 -55.3 5.33 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -97.49 30.72 2.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -178.1 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.544 ' O ' HG22 ' A' ' 168' ' ' VAL . 47.0 t -68.95 -47.8 73.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.514 178.97 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -72.03 -14.97 62.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -69.8 -31.3 69.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.524 -179.697 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 165' ' ' VAL . 7.3 m -85.91 -34.44 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.312 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -74.83 -44.48 49.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.417 -179.911 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -70.14 -52.31 24.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.688 -179.491 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -53.76 -42.75 68.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.915 -179.679 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 54.4 tp -73.0 -35.35 66.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 19.5 ttp -62.69 -39.52 94.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.08 -179.719 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.95 -34.88 79.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 179' ' ' LYS . 12.8 mm-40 -64.87 -45.36 86.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.68 179.637 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.503 ' O ' ' HB3' ' A' ' 180' ' ' LYS . 51.4 mt -58.09 -32.54 44.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.508 HH11 HD23 ' A' ' 57' ' ' LEU . 73.7 mtp180 -75.53 -52.66 10.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.818 -179.825 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 182' ' ' SER . 99.1 m -86.87 -59.37 2.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.417 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 175' ' ' GLU . 56.8 tttp -58.13 -54.11 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.916 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 176' ' ' ILE . 61.4 tttp -65.53 -57.71 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -178.354 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 22.7 mmt -60.8 -12.78 11.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -179.028 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 178' ' ' THR . 39.9 t -66.43 -60.92 2.31 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.723 0.297 . . . . 0.0 111.162 179.996 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 58.42 28.2 16.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.824 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -58.43 -45.43 88.49 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.343 -0.837 . . . . 0.0 110.808 179.991 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.763 0.316 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.33 168.44 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.801 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.1 mt -130.66 116.28 17.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -108.01 105.53 15.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 179.89 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -88.34 116.37 26.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.219 -179.435 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.08 135.44 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.815 179.576 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.6 mm -113.36 114.41 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.404 -179.496 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.577 ' HB3' ' HB3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -63.34 95.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.716 179.452 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 21' ' ' GLY . 8.4 p -100.87 160.57 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.56 179.733 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 20' ' ' VAL . . . 169.02 -157.41 29.43 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.807 -179.704 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.47 ' N ' HG22 ' A' ' 104' ' ' THR . 31.0 t -61.83 -53.72 51.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.706 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 155.32 -36.65 0.64 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.153 -179.683 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -145.76 79.13 0.24 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.099 179.839 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 93' ' ' PHE . 54.3 t -121.24 -60.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.631 0.253 . . . . 0.0 111.443 -179.389 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.9 27.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.103 -179.794 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 19' ' ' MET . 44.4 mtmt -53.96 -47.21 71.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.885 0.374 . . . . 0.0 111.315 -179.917 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 31' ' ' THR . 85.7 p -66.39 -31.07 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.453 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 33' ' ' GLN . . . -65.41 -52.83 50.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.763 -179.18 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -25.11 67.04 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 178.341 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 28' ' ' SER . 99.5 m -68.3 -44.2 75.98 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.021 179.713 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.5 mt -71.23 -37.44 72.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 29' ' ' ALA . 14.2 mm100 -58.95 -37.98 77.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.661 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -72.64 -25.12 61.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.142 179.772 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.4 tpp -80.57 -48.62 12.45 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -178.645 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -105.81 -5.95 19.4 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -178.412 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 57.06 29.66 16.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.937 0.399 . . . . 0.0 110.342 -179.515 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -154.2 153.1 31.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.777 -179.352 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' HA ' ' OE1' ' A' ' 33' ' ' GLN . 64.5 t80 -87.11 105.6 17.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.631 179.843 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.2 t -139.62 142.31 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.646 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -85.31 142.76 29.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -155.48 -54.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 76.9 t80 62.26 108.49 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.283 179.862 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -143.61 98.52 5.35 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.817 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.18 124.18 15.66 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.534 2.156 . . . . 0.0 112.535 -179.874 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -72.03 143.72 49.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -142.09 -46.03 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -167.92 3.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.349 -179.98 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.52 136.21 33.04 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -116.46 159.99 21.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 -179.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -116.45 135.01 54.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.697 179.877 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -130.88 160.33 34.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 111.317 -179.864 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -166.13 162.98 18.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.735 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -112.18 128.43 56.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.94 0.4 . . . . 0.0 111.467 -179.598 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.3 m -141.29 170.87 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.675 179.661 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.8 t -115.22 144.93 21.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.212 -179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.3 mt -140.72 97.85 3.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.074 -179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.19 31.3 18.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.12 9.65 59.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.931 179.678 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' HB3' HH12 ' A' ' 177' ' ' ARG . 9.4 tp10 -117.83 118.91 33.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.782 0.325 . . . . 0.0 110.624 179.814 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -93.0 120.07 32.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.337 -179.415 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.9 m -143.05 148.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.915 179.676 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -98.69 138.97 35.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.24 -179.724 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.9 tt -105.62 123.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.698 179.775 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -102.89 113.71 27.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 -179.788 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.4 mt -98.39 122.52 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 68' ' ' ASP . 3.1 tm? -138.37 137.89 37.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.658 -179.673 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.579 ' N ' HD13 ' A' ' 67' ' ' LEU . 24.8 t70 65.5 122.82 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.715 -179.897 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -164.39 9.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.566 -179.554 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -136.49 166.48 23.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.582 -179.627 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -60.14 126.52 41.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.233 179.656 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -72.28 -34.04 67.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.514 0.197 . . . . 0.0 111.183 -179.641 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 63.36 116.8 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 60.66 97.34 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.713 -179.639 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -161.67 135.57 6.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.073 -179.553 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.04 -49.36 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.783 179.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.11 25.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.5 mt -58.14 -17.34 8.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.18 -179.899 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -54.85 -56.44 19.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.762 179.857 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -53.98 -33.59 57.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.97 -41.65 98.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.134 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.03 -47.44 65.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.178 -179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -59.17 -30.14 67.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.758 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' N ' HG11 ' A' ' 114' ' ' VAL . 64.1 ttt180 -78.51 -23.7 46.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.906 -179.685 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.4 m -76.36 -20.77 56.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -105.91 -161.78 22.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.546 -179.968 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -140.08 -32.98 0.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.778 0.323 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.579 ' HA3' HD11 ' A' ' 176' ' ' ILE . . . -107.14 165.59 13.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.434 -179.97 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -140.57 137.85 34.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.872 0.367 . . . . 0.0 111.319 -179.749 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 172' ' ' LEU . 16.7 mt -128.02 111.02 13.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.793 178.843 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 104' ' ' THR . 0.7 OUTLIER -81.82 130.33 35.03 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.438 -179.775 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.0 t -132.03 137.22 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -179.356 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.653 ' HB3' HG21 ' A' ' 104' ' ' THR . 10.8 p90 -160.39 149.43 17.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.426 178.036 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.43 ' OG ' HG13 ' A' ' 25' ' ' VAL . 42.2 m -95.18 149.03 21.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.042 0.448 . . . . 0.0 111.567 -179.539 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.459 HD13 ' HE ' ' A' ' 136' ' ' ARG . 12.9 pt -73.23 -34.49 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.767 179.435 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.476 HG21 HD12 ' A' ' 132' ' ' LEU . 57.0 p -64.97 -28.08 69.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.02 179.774 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -107.27 95.0 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.033 179.929 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -63.11 -16.26 59.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.031 179.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -73.5 -26.85 61.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.241 -179.166 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.43 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 83.2 p -74.19 -48.32 29.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.51 -178.848 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -50.0 -42.77 49.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.115 0.483 . . . . 0.0 111.197 -179.969 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.1 p -72.21 -53.53 12.32 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.33 -179.412 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.89 73.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.611 -179.233 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.655 ' HB ' HD11 ' A' ' 91' ' ' LEU . 24.0 p -55.72 -31.51 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.59 -31.23 70.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.205 -179.778 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.32 -40.63 93.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.953 0.406 . . . . 0.0 110.66 179.613 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -64.93 -25.04 67.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.144 179.856 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -49.48 -44.44 45.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -70.68 -37.16 73.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.963 179.755 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.401 ' HA ' ' HG2' ' A' ' 113' ' ' ARG . 60.1 mm-40 -61.59 -29.33 69.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 -179.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 96.1 mt -64.06 -40.75 90.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.215 -179.877 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.0 mt -68.3 -26.39 65.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.772 -179.977 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' A' ' 110' ' ' GLN . 28.7 mmm180 -50.6 -51.21 50.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.753 -179.378 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.583 HG23 ' HG2' ' A' ' 115' ' ' LYS . 9.6 m -66.14 -34.69 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.365 -179.692 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.583 ' HG2' HG23 ' A' ' 114' ' ' VAL . 71.3 mmtt -104.93 54.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.233 179.312 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.22 -39.18 56.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.625 -179.559 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.47 -41.42 98.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 179.63 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 62.94 121.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.611 179.829 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -145.35 -61.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.811 179.483 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.558 ' HB3' ' HG2' ' A' ' 179' ' ' LYS . 46.0 mmtm -145.05 89.25 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.903 179.167 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mm -91.47 109.49 36.53 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.691 -178.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.572 ' HG2' ' HA2' ' A' ' 88' ' ' GLY . 83.7 Cg_endo -81.82 135.46 8.92 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.398 2.065 . . . . 0.0 111.681 179.08 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 124' ' ' LEU . 50.7 tp -151.05 165.82 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.262 -179.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.474 ' N ' ' HG ' ' A' ' 123' ' ' LEU . 28.0 tp -168.63 137.24 2.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.381 179.638 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 91' ' ' LEU . 2.6 t -105.48 144.14 15.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 111.569 -179.503 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.402 ' HB ' HG11 ' A' ' 168' ' ' VAL . 7.8 p -139.88 132.35 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.2 179.547 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.33 106.08 2.9 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.053 179.332 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.8 -175.23 5.2 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.765 0.317 . . . . 0.0 110.405 -179.644 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.421 ' O ' HD11 ' A' ' 95' ' ' ILE . 69.0 mmtt 56.53 16.54 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.494 -179.904 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 48.3 t -61.1 -17.41 52.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.229 -179.725 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -59.99 -17.98 42.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.615 179.767 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.574 HD13 ' HD3' ' A' ' 135' ' ' ARG . 63.1 mt -105.42 82.23 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.722 179.844 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.551 ' HG2' HH22 ' A' ' 136' ' ' ARG . 32.0 mt-10 -72.99 -17.74 61.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -91.26 -21.32 21.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 -179.818 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . 0.574 ' HD3' HD13 ' A' ' 132' ' ' LEU . 81.1 mtp180 -105.74 10.36 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.755 179.913 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.551 HH22 ' HG2' ' A' ' 133' ' ' GLU . 47.2 ttm180 -73.96 117.39 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.549 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -96.52 -29.44 13.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.01 -179.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.5 t -98.82 111.77 61.24 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 -179.93 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.28 128.5 22.83 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.095 1.864 . . . . 0.0 111.254 179.216 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 144' ' ' ARG . 5.6 p -51.89 -44.72 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.314 -179.542 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -56.81 -47.31 80.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.51 -27.57 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.295 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.81 60.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.049 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 140' ' ' VAL . 94.1 mtt180 -69.12 -38.18 78.73 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.05 -179.939 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.3 t -65.25 -51.43 60.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.118 -179.585 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.88 -44.31 97.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.803 -179.816 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -66.9 -34.59 78.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.377 -179.907 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.38 -32.26 73.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.251 -179.668 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -53.67 -43.09 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.208 179.984 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 150' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -69.72 -17.11 63.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 99.57 24.38 10.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.393 179.894 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.18 171.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.0 111.486 -179.803 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -102.31 165.66 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.482 179.6 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -133.34 138.2 46.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 155' ' ' VAL . . . . . 0.487 HG11 ' HZ1' ' A' ' 167' ' ' LYS . 61.8 t -140.69 152.56 20.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 179.637 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 155' ' ' VAL . 37.1 mt-10 -89.26 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.202 179.539 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.62 HG22 ' HB2' ' A' ' 164' ' ' ASN . 43.6 p -143.96 157.62 44.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.033 0.444 . . . . 0.0 111.687 -179.375 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 50.4 m -126.53 111.13 14.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.39 -3.39 2.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.366 -179.838 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 58.0 tptt -91.98 -37.88 12.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.498 ' C ' ' HG3' ' A' ' 162' ' ' ARG . 78.9 p -96.29 -3.39 44.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.007 179.858 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . 0.498 ' HG3' ' C ' ' A' ' 161' ' ' THR . 0.0 OUTLIER 34.42 40.76 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.89 -179.718 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 163' ' ' ALA . . . . . . . . . . . . . . . -77.9 -56.13 4.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.853 -179.588 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . 0.62 ' HB2' HG22 ' A' ' 157' ' ' THR . 3.0 m-20 -112.21 15.37 20.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.395 -179.754 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.563 ' O ' HG22 ' A' ' 168' ' ' VAL . 10.8 p -64.68 -40.68 89.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 110.744 179.984 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -74.08 -14.82 61.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.3 179.562 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 167' ' ' LYS . . . . . 0.487 ' HZ1' HG11 ' A' ' 155' ' ' VAL . 6.1 tmmm? -67.31 -35.22 79.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.089 -178.937 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 165' ' ' VAL . 30.4 m -72.51 -28.94 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.823 0.344 . . . . 0.0 111.083 -179.752 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 169' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -74.85 -43.77 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.715 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 170' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -69.47 -50.18 47.91 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.772 179.568 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -53.32 -53.38 51.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.983 179.972 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.588 ' HB2' HD21 ' A' ' 90' ' ' LEU . 1.5 tm? -56.45 -44.99 81.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.315 179.605 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 173' ' ' MET . . . . . . . . . . . . . 22.8 ttp -56.88 -43.02 80.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.477 ' HA ' ' HG2' ' A' ' 177' ' ' ARG . 70.0 mtm180 -69.95 -37.79 75.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.233 179.907 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -63.96 -34.99 79.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.31 -179.608 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.579 HD11 ' HA3' ' A' ' 88' ' ' GLY . 96.4 mt -72.67 -53.41 19.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.758 0.313 . . . . 0.0 111.375 -179.877 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.479 HH12 ' HB3' ' A' ' 60' ' ' GLU . 1.8 ptp180 -59.75 -30.16 68.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 0.0 111.396 -179.638 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . 0.435 ' O ' ' HB3' ' A' ' 182' ' ' SER . 63.7 m -87.64 -59.65 2.19 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -179.456 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . 0.558 ' HG2' ' HB3' ' A' ' 120' ' ' LYS . 54.9 tttp -70.44 -54.37 12.61 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.289 0.848 . . . . 0.0 113.289 -177.889 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 180' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -59.32 -38.64 80.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -178.673 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.415 ' HB2' ' O ' ' A' ' 177' ' ' ARG . 24.0 mmt -81.6 -16.13 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.265 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 178' ' ' THR . 54.4 p -64.84 -55.99 16.16 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.503 -179.78 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 59.89 107.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.364 179.845 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 184' ' ' ASN . . . . . . . . . . . . . 13.8 m120 61.99 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.294 179.991 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 500' ' ' GNP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 501' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 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